data_2lvu_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 2lvu _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.497 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 51.2 m-85 . . . . . 0 N--CA 1.449 -0.522 0 CA-C-O 121.071 0.462 . . . . 2.02 110.293 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.731 HG22 ' HB3' ' A' ' 68' ' ' ARG . 21.4 t -125.75 144.29 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 CA-C-N 115.7 -0.682 . . . . 1.6299999999999999 110.022 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.892 ' HA ' HD12 ' A' ' 79' ' ' ILE . 53.9 t -68.78 101.11 1.26 Allowed 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.614 -0.721 . . . . 0.38 110.226 177.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -56.73 -23.84 45.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.37 0.605 . . . . 2.79 110.316 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -84.9 -27.01 26.93 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 113.391 0.886 . . . . 3.3999999999999999 113.391 -172.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 12.4 p -139.54 -4.1 1.46 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 118.115 -1.434 . . . . 0.37 113.631 175.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.62 12.33 61.07 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 120.276 -0.964 . . . . 0.42999999999999999 114.403 173.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -99.78 137.63 37.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 117.664 0.732 . . . . 2.5299999999999998 111.191 175.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.731 ' HB3' HG22 ' A' ' 61' ' ' VAL . 32.7 ptt180 -113.93 167.85 10.3 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.167 -0.47 . . . . 3.3700000000000001 111.99 -176.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.495 ' HB2' HD21 ' A' ' 75' ' ' LEU . 12.4 m-85 -142.25 147.61 36.75 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-O 121.899 0.857 . . . . 0.67000000000000004 111.072 -176.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 66.9 t -69.8 -32.19 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.265 0 CA-C-N 113.678 -1.601 . . . . 1.45 110.364 176.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.604 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 0.2 OUTLIER -105.03 128.9 53.52 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 116.121 -0.49 . . . . 2.5299999999999998 110.094 -178.865 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.2 m -61.08 -37.23 81.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.854 -0.612 . . . . 1.74 109.728 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.9 t -60.85 -41.86 96.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.189 -0.914 . . . . 1.6100000000000001 110.737 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.604 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 0.5 OUTLIER -75.88 -30.76 58.96 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 109.651 -0.499 . . . . 2.3900000000000001 109.651 -174.391 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.503 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 1.1 tm? -70.0 -41.97 73.67 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.88 -0.785 . . . . 2.4500000000000002 108.88 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.97 -37.21 81.26 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.815 -0.439 . . . . 1.1000000000000001 109.815 175.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -61.32 -41.61 97.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.585 0.707 . . . . 1.96 109.246 174.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.503 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 55.0 t60 -57.16 -53.4 58.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.865 -1.061 . . . . 0.58999999999999997 111.011 177.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.892 HD12 ' HA ' ' A' ' 62' ' ' CYS . 67.2 mt -76.46 -22.68 15.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.088 -0.506 . . . . 1.3999999999999999 111.927 -176.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.58 -28.56 60.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 120.91 0.386 . . . . 4.9100000000000001 110.932 168.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -82.85 -1.84 53.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 3.75 111.105 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 116.148 -0.478 . . . . 1.22 109.943 175.24 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.686 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 20.9 m-85 . . . . . 0 N--CA 1.449 -0.475 0 CA-C-O 121.512 0.672 . . . . 2.02 111.062 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.621 HG23 ' HG2' ' A' ' 68' ' ' ARG . 29.0 t -120.59 143.18 33.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 CA-C-N 115.044 -0.98 . . . . 1.6299999999999999 109.953 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.741 ' HA ' HD12 ' A' ' 79' ' ' ILE . 49.2 t -81.32 104.9 12.1 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.202 -0.666 . . . . 0.38 109.202 173.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -65.25 -20.55 66.47 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.438 0.637 . . . . 2.79 109.771 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -76.91 -32.95 57.76 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.393 -0.821 . . . . 3.3999999999999999 112.539 -175.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.0 p -139.07 10.25 2.57 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 118.579 -1.248 . . . . 0.37 112.699 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.73 -16.66 24.94 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 114.184 0.433 . . . . 0.42999999999999999 114.184 171.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -81.27 137.79 35.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.227 0.513 . . . . 2.5299999999999998 112.031 -173.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.621 ' HG2' HG23 ' A' ' 61' ' ' VAL . 19.1 mtp180 -102.23 172.29 6.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 113.854 1.057 . . . . 3.3700000000000001 113.854 -173.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.623 ' HE2' ' ND1' ' A' ' 78' ' ' HIS . 16.8 m-85 -146.47 143.31 28.89 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 113.907 -1.497 . . . . 0.67000000000000004 109.42 172.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.8 t -75.22 -32.86 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.346 0 CA-C-N 114.38 -1.282 . . . . 1.45 109.692 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -96.62 129.13 44.06 Favored 'General case' 0 N--CA 1.423 -1.823 0 CA-C-N 116.019 -0.537 . . . . 2.5299999999999998 110.198 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 p -55.61 -43.76 76.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.378 -0.828 . . . . 1.74 110.467 178.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.8 m -59.3 -42.33 91.09 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.252 -0.886 . . . . 1.6100000000000001 111.029 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.418 HE21 ' HB3' ' A' ' 74' ' ' GLN . 18.1 mt-30 -75.25 -32.77 61.19 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 110.147 -0.316 . . . . 2.3900000000000001 110.147 -172.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.686 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 1.6 tm? -71.73 -40.31 69.51 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.024 -0.732 . . . . 2.4500000000000002 109.024 178.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.24 -36.27 81.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.735 -0.469 . . . . 1.1000000000000001 109.735 175.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -63.07 -41.78 99.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.548 0.69 . . . . 1.96 109.244 174.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.623 ' ND1' ' HE2' ' A' ' 69' ' ' PHE . 43.3 t60 -56.66 -46.95 80.78 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.582 -1.19 . . . . 0.58999999999999997 111.445 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' ' 62' ' ' CYS . 62.4 mt -80.57 -30.35 12.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 112.185 0.439 . . . . 1.3999999999999999 112.185 -177.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -60.77 -25.02 66.21 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.316 0.579 . . . . 4.9100000000000001 110.573 167.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.408 ' HB3' ' O ' ' A' ' 78' ' ' HIS . 8.4 t-160 -76.59 -7.23 54.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.404 -0.817 . . . . 3.75 109.736 176.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.003 -0.544 . . . . 1.22 110.786 177.3 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.742 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 94.2 m-85 . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 121.381 0.61 . . . . 2.02 111.888 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.575 HG13 ' HB3' ' A' ' 68' ' ' ARG . 59.0 t -133.64 142.16 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 CA-C-N 115.401 -0.818 . . . . 1.6299999999999999 109.545 178.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.673 ' HA ' HD11 ' A' ' 79' ' ' ILE . 53.2 t -71.46 100.55 2.23 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.371 -0.603 . . . . 0.38 109.371 175.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -51.87 -28.85 17.46 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.375 0.607 . . . . 2.79 110.568 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -80.01 -36.8 35.34 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.07 -0.968 . . . . 3.3999999999999999 113.12 -170.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.522 ' SG ' ' HD2' ' A' ' 67' ' ' LYS . 14.0 p -134.38 7.9 3.64 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 118.607 -1.237 . . . . 0.37 112.643 178.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.81 -19.24 16.8 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 121.039 -0.601 . . . . 0.42999999999999999 113.86 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.522 ' HD2' ' SG ' ' A' ' 65' ' ' CYS . 55.9 mttm -73.21 128.4 35.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.215 0.507 . . . . 2.5299999999999998 110.271 -177.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.575 ' HB3' HG13 ' A' ' 61' ' ' VAL . 31.5 ptt180 -115.15 168.92 9.51 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.46 0.648 . . . . 3.3700000000000001 112.676 -170.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.513 ' HE2' ' ND1' ' A' ' 78' ' ' HIS . 48.5 m-85 -149.07 143.46 26.06 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 114.618 -1.174 . . . . 0.67000000000000004 108.877 -177.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.445 HG11 HE21 ' A' ' 71' ' ' GLN . 21.6 t -74.06 -30.4 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 CA-C-N 114.945 -1.025 . . . . 1.45 110.319 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.445 HE21 HG11 ' A' ' 70' ' ' VAL . 18.8 mm-40 -100.09 129.23 46.11 Favored 'General case' 0 N--CA 1.424 -1.738 0 CA-C-N 116.23 -0.441 . . . . 2.5299999999999998 110.791 -178.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.437 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 33.1 t -56.82 -40.0 75.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.217 -0.901 . . . . 1.74 110.444 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.8 t -62.76 -40.08 96.18 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.774 -0.648 . . . . 1.6100000000000001 110.276 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -79.35 -30.13 42.51 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.828 0.347 . . . . 2.3900000000000001 110.214 -175.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.742 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 1.1 tm? -69.94 -40.62 75.36 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.885 -0.783 . . . . 2.4500000000000002 108.885 175.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' A' ' 80' ' ' ARG . . . -68.15 -38.57 82.28 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 109.49 -0.559 . . . . 1.1000000000000001 109.49 175.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -57.75 -42.3 83.68 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.547 0.689 . . . . 1.96 109.155 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.513 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 55.6 t60 -58.15 -53.69 55.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.679 -1.146 . . . . 0.58999999999999997 111.61 177.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.673 HD11 ' HA ' ' A' ' 62' ' ' CYS . 64.7 mt -75.6 -21.6 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.848 -0.615 . . . . 1.3999999999999999 111.774 -176.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 72.4 mtt180 -61.67 -16.86 52.49 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.935 0.398 . . . . 4.9100000000000001 111.909 171.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -90.18 -2.67 58.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.362 0.601 . . . . 3.75 110.037 175.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 10.1 m-70 . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.175 -0.466 . . . . 1.22 111.024 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.582 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 13.3 m-85 . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 121.244 0.545 . . . . 2.02 111.074 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.829 HG22 ' HG2' ' A' ' 68' ' ' ARG . 66.7 t -124.42 136.79 59.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.383 -0.826 . . . . 1.6299999999999999 110.214 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.612 ' HA ' HD13 ' A' ' 79' ' ' ILE . 31.4 t -67.2 104.18 1.4 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.297 -0.411 . . . . 0.38 110.111 176.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -55.03 -28.01 48.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.963 -0.562 . . . . 2.79 111.083 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.541 ' HD3' HG23 ' A' ' 79' ' ' ILE . 30.1 mtp180 -78.75 -38.17 39.38 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 113.431 0.9 . . . . 3.3999999999999999 113.431 -173.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.1 p -133.34 -4.43 3.01 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 118.093 -1.443 . . . . 0.37 113.036 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.2 -10.32 65.47 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.528 -0.844 . . . . 0.42999999999999999 114.197 173.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -75.97 140.48 42.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 117.679 0.74 . . . . 2.5299999999999998 111.359 -177.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.829 ' HG2' HG22 ' A' ' 61' ' ' VAL . 53.4 mtt180 -103.05 160.87 14.25 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 113.157 0.799 . . . . 3.3700000000000001 113.157 -174.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.553 ' HE2' ' ND1' ' A' ' 78' ' ' HIS . 38.8 m-85 -149.46 139.42 21.98 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 114.299 -1.319 . . . . 0.67000000000000004 109.934 176.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.5 t -73.14 -30.52 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 CA-C-N 114.044 -1.435 . . . . 1.45 110.493 -177.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -101.65 129.39 47.77 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-N 116.271 -0.422 . . . . 2.5299999999999998 110.091 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.5 m -55.53 -40.78 72.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.278 -0.874 . . . . 1.74 110.352 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.7 p -65.99 -35.5 80.75 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.52 -0.764 . . . . 1.6100000000000001 111.27 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -76.4 -31.84 58.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.88 -0.415 . . . . 2.3900000000000001 109.88 -176.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.582 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 1.2 tm? -69.54 -40.78 76.67 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.613 -0.884 . . . . 2.4500000000000002 108.613 175.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.93 -38.75 86.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.806 -0.634 . . . . 1.1000000000000001 110.037 175.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -60.62 -42.66 97.32 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.467 -0.568 . . . . 1.96 109.467 174.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.553 ' ND1' ' HE2' ' A' ' 69' ' ' PHE . 65.5 t60 -54.27 -52.74 60.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.063 -0.972 . . . . 0.58999999999999997 111.151 177.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.612 HD13 ' HA ' ' A' ' 62' ' ' CYS . 50.4 mt -76.2 -31.96 21.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.907 -0.588 . . . . 1.3999999999999999 112.107 -177.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 29.9 mtm180 -68.08 -12.15 60.33 Favored 'General case' 0 N--CA 1.444 -0.767 0 O-C-N 122.022 -0.423 . . . . 4.9100000000000001 111.357 173.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -96.3 2.54 52.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.589 -0.278 . . . . 3.75 110.785 173.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.526 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.6 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.953 0.406 . . . . 1.22 110.683 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.704 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 42.5 m-85 . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 120.953 0.406 . . . . 2.02 111.284 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.599 HG23 ' HB3' ' A' ' 68' ' ' ARG . 46.3 t -121.39 129.97 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.554 -0.748 . . . . 1.6299999999999999 110.054 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 31.6 t -68.47 108.58 3.34 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.111 -0.495 . . . . 0.38 109.818 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.23 -24.57 67.93 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.336 0.589 . . . . 2.79 109.708 178.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -85.59 -25.09 26.89 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 113.427 0.899 . . . . 3.3999999999999999 113.427 -170.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.7 p -140.16 12.58 2.41 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 118.411 -1.316 . . . . 0.37 112.683 171.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.08 -4.54 46.57 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 114.832 0.693 . . . . 0.42999999999999999 114.832 169.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.496 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 45.4 mttp -89.42 136.66 32.9 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.655 0.727 . . . . 2.5299999999999998 110.167 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.599 ' HB3' HG23 ' A' ' 61' ' ' VAL . 12.3 ptt180 -121.21 168.29 11.76 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 112.986 0.736 . . . . 3.3700000000000001 112.986 -173.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.45 ' HD2' HD23 ' A' ' 75' ' ' LEU . 55.6 m-85 -148.99 149.64 31.51 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.025 -0.989 . . . . 0.67000000000000004 109.57 -175.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -70.64 -33.32 52.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 114.855 -1.066 . . . . 1.45 109.306 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -98.06 128.71 44.75 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-N 115.028 -0.987 . . . . 2.5299999999999998 109.991 -172.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 p -57.69 -41.66 82.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.889 -0.596 . . . . 1.74 109.99 175.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.6 m -63.42 -40.03 96.09 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.357 -0.838 . . . . 1.6100000000000001 110.935 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -74.13 -33.26 63.49 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.278 -0.638 . . . . 2.3900000000000001 109.278 -175.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.704 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 1.3 tm? -71.38 -39.96 70.9 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.121 -0.696 . . . . 2.4500000000000002 109.121 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.09 -23.59 51.86 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.422 -0.511 . . . . 1.1000000000000001 110.149 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -69.37 -36.58 76.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.431 -0.952 . . . . 1.96 108.431 169.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.656 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 36.1 t60 -61.7 -39.59 92.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.849 -1.069 . . . . 0.58999999999999997 110.488 171.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.661 HG12 ' O ' ' A' ' 75' ' ' LEU . 49.7 mm -70.85 -39.39 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-O 121.072 0.463 . . . . 1.3999999999999999 110.362 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.446 ' HD3' ' HA ' ' A' ' 80' ' ' ARG . 25.6 mmt180 -63.75 -20.76 66.0 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 120.906 0.384 . . . . 4.9100000000000001 111.502 173.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -76.76 -7.36 55.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.27 0.557 . . . . 3.75 109.603 175.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.593 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 10.2 m-70 . . . . . 0 C--O 1.235 0.334 0 CA-C-N 115.633 -0.712 . . . . 1.22 110.86 176.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.539 ' HB3' HD21 ' A' ' 75' ' ' LEU . 77.1 m-85 . . . . . 0 N--CA 1.451 -0.411 0 CA-C-O 121.386 0.612 . . . . 2.02 111.266 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.606 ' HA ' ' HA ' ' A' ' 68' ' ' ARG . 35.2 t -127.67 142.06 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-N 115.849 -0.614 . . . . 1.6299999999999999 109.546 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.539 ' SG ' ' HB2' ' A' ' 64' ' ' ARG . 49.3 t -73.37 91.43 1.74 Allowed 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.598 -0.89 . . . . 0.38 108.598 174.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -58.73 -20.95 53.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.393 0.616 . . . . 2.79 109.518 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.539 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 30.4 mtp180 -68.03 -40.6 82.88 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.087 -0.96 . . . . 3.3999999999999999 112.761 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.1 p -132.51 -4.84 3.32 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 118.365 -1.334 . . . . 0.37 113.101 178.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.24 -23.49 31.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.937 -0.649 . . . . 0.42999999999999999 113.716 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -69.1 120.12 14.45 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 117.547 0.674 . . . . 2.5299999999999998 111.729 -176.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.606 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 15.8 ptp180 -97.75 161.78 13.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.071 -0.513 . . . . 3.3700000000000001 111.582 -178.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.404 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 79.2 m-85 -148.28 140.92 24.5 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 115.47 -0.786 . . . . 0.67000000000000004 109.418 -177.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.6 t -77.88 -31.74 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 CA-C-N 114.983 -1.008 . . . . 1.45 110.289 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.472 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 34.5 mt-30 -96.53 129.3 43.93 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 115.872 -0.604 . . . . 2.5299999999999998 109.962 -178.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.7 t -59.16 -40.48 85.73 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.292 -0.633 . . . . 1.74 109.292 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.7 t -58.91 -46.49 87.79 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.573 -0.74 . . . . 1.6100000000000001 110.348 176.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.472 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 4.9 tp-100 -69.27 -38.73 78.52 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.133 -0.691 . . . . 2.3900000000000001 109.133 -173.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 60' ' ' TYR . 52.2 tp -63.21 -57.29 10.97 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.226 -0.897 . . . . 2.4500000000000002 110.426 176.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.57 ' O ' ' HB3' ' A' ' 80' ' ' ARG . . . -54.13 -39.77 66.77 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.791 -1.095 . . . . 1.1000000000000001 110.279 177.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -55.11 -50.52 69.0 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.326 0.584 . . . . 1.96 109.575 174.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -62.98 -47.4 83.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.243 -0.889 . . . . 0.58999999999999997 110.636 -176.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' A' ' 62' ' ' CYS . 55.6 mt -76.56 -27.7 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 115.793 -0.64 . . . . 1.3999999999999999 112.159 -174.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.57 ' HB3' ' O ' ' A' ' 76' ' ' ALA . 1.1 ppt_? -63.91 -20.49 65.88 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 120.992 0.425 . . . . 4.9100000000000001 110.491 179.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -90.05 -8.16 52.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 3.75 110.269 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 2.4 m-70 . . . . . 0 CA--C 1.514 -0.423 0 CA-C-O 121.551 0.691 . . . . 1.22 109.928 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 121.905 0.859 . . . . 2.02 111.365 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.632 ' HA ' ' HA ' ' A' ' 68' ' ' ARG . 6.5 p -119.91 142.84 33.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 114.74 -1.118 . . . . 1.6299999999999999 109.178 176.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.523 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 9.5 t -63.18 107.88 1.15 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.825 -0.435 . . . . 0.38 109.825 175.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -57.98 -22.29 48.64 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.516 -0.766 . . . . 2.79 111.369 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -86.1 -44.55 12.17 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 113.135 0.791 . . . . 3.3999999999999999 113.135 -174.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.5 p -129.44 6.25 5.25 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 118.576 -1.25 . . . . 0.37 112.737 -176.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.74 -6.59 83.21 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.758 -0.734 . . . . 0.42999999999999999 114.663 169.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -80.75 122.34 27.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.909 0.855 . . . . 2.5299999999999998 111.754 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.632 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 16.1 mtm180 -80.72 160.28 24.99 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.676 0.991 . . . . 3.3700000000000001 113.676 -175.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.405 ' HE1' ' ND1' ' A' ' 78' ' ' HIS . 11.4 m-85 -147.49 144.5 28.62 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 114.171 -1.377 . . . . 0.67000000000000004 109.726 176.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.1 t -76.01 -33.12 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.298 0 CA-C-N 114.345 -1.298 . . . . 1.45 110.586 -177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -109.19 141.01 42.05 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-O 121.069 0.461 . . . . 2.5299999999999998 111.125 -176.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.5 t -64.99 -36.6 84.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.12 -0.945 . . . . 1.74 109.956 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 p -62.56 -47.34 84.29 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.485 -0.78 . . . . 1.6100000000000001 110.447 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.504 ' HA ' ' HB3' ' A' ' 77' ' ' ASN . 97.0 mt-30 -72.68 -26.7 61.71 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.058 -0.519 . . . . 2.3900000000000001 109.824 -176.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.597 ' O ' HG12 ' A' ' 79' ' ' ILE . 20.8 tp -62.42 -58.26 8.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.501 -0.772 . . . . 2.4500000000000002 110.406 174.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -67.67 -25.05 65.51 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 116.228 -0.442 . . . . 1.1000000000000001 110.34 176.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.504 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 25.6 t-20 -60.73 -43.48 97.83 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.675 -0.861 . . . . 1.96 108.675 170.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.57 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 43.7 t60 -62.34 -42.55 99.48 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.897 -1.047 . . . . 0.58999999999999997 110.567 175.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 75' ' ' LEU . 42.3 mm -67.47 -38.93 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.788 -0.642 . . . . 1.3999999999999999 110.931 -179.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 80' ' ' ARG . 12.6 mmm180 -56.69 -25.72 54.77 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 112.562 0.578 . . . . 4.9100000000000001 112.562 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -87.24 -0.99 57.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.088 0.47 . . . . 3.75 110.593 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.53 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 5.7 m-70 . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 121.452 0.644 . . . . 1.22 110.907 177.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 72' ' ' SER . 84.5 m-85 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 121.598 0.713 . . . . 2.02 110.45 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.888 HG21 ' HG2' ' A' ' 68' ' ' ARG . 75.0 t -138.4 140.03 40.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.173 -0.921 . . . . 1.6299999999999999 108.971 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.479 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 26.1 t -70.98 103.47 2.68 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.658 -0.867 . . . . 0.38 108.658 173.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -7.09 46.26 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.459 0.647 . . . . 2.79 109.697 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -92.56 -23.65 18.99 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.428 -0.806 . . . . 3.3999999999999999 112.289 -174.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.4 p -138.25 -2.13 1.86 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 118.665 -1.214 . . . . 0.37 112.632 168.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.6 14.64 59.53 Favored Glycine 0 CA--C 1.517 0.214 0 N-CA-C 114.701 0.64 . . . . 0.42999999999999999 114.701 170.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.598 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 29.9 mmmt -99.95 142.86 30.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 117.876 0.838 . . . . 2.5299999999999998 111.494 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.888 ' HG2' HG21 ' A' ' 61' ' ' VAL . 96.6 mtt180 -94.92 156.79 16.19 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.732 1.012 . . . . 3.3700000000000001 113.732 -174.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.65 ' CE2' ' HB2' ' A' ' 78' ' ' HIS . 15.8 m-85 -151.74 141.72 22.1 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 114.156 -1.383 . . . . 0.67000000000000004 109.2 172.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -84.24 -32.47 8.27 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 CA-C-N 115.198 -0.91 . . . . 1.45 110.152 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.663 ' HA ' HE21 ' A' ' 71' ' ' GLN . 0.0 OUTLIER -95.12 130.79 41.69 Favored 'General case' 0 N--CA 1.426 -1.655 0 N-CA-C 109.598 -0.519 . . . . 2.5299999999999998 109.598 -178.374 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.508 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 12.9 p -62.58 -33.8 75.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.028 0.442 . . . . 1.74 110.19 178.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 p -65.91 -43.22 88.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.822 -0.626 . . . . 1.6100000000000001 110.535 176.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.522 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 13.5 mm100 -76.57 -22.39 54.35 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.005 0.431 . . . . 2.3900000000000001 110.037 -177.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.57 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 15.9 tp -64.27 -54.43 33.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.633 -0.712 . . . . 2.4500000000000002 109.683 172.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.72 -25.93 65.9 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.765 -0.652 . . . . 1.1000000000000001 110.764 175.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -64.07 -36.28 83.51 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.921 -0.77 . . . . 1.96 108.921 172.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.65 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 58.1 t60 -66.58 -41.72 88.08 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.353 -0.84 . . . . 0.58999999999999997 110.795 175.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.658 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 12.5 mm -68.04 -36.27 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.182 0.515 . . . . 1.3999999999999999 109.761 176.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -57.66 -36.26 71.65 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.727 -0.669 . . . . 4.9100000000000001 112.133 175.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -82.69 3.59 28.44 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.132 0.491 . . . . 3.75 110.715 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.658 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 3.7 m-70 . . . . . 0 C--N 1.326 -0.422 0 N-CA-C 109.083 -0.71 . . . . 1.22 109.083 171.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 N--CA 1.448 -0.557 0 CA-C-O 120.916 0.388 . . . . 2.02 110.442 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.625 ' HA ' ' HA ' ' A' ' 68' ' ' ARG . 23.6 t -126.85 142.89 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-N 116.187 -0.461 . . . . 1.6299999999999999 109.771 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.958 ' HA ' HD11 ' A' ' 79' ' ' ILE . 48.4 t -70.32 99.6 1.58 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.327 -0.619 . . . . 0.38 109.327 176.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -58.45 -16.4 14.89 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.351 0.596 . . . . 2.79 110.776 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -95.8 -22.29 17.58 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 113.566 0.95 . . . . 3.3999999999999999 113.566 -173.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.8 p -139.94 3.23 2.0 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 118.219 -1.393 . . . . 0.37 112.776 172.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.4 -14.69 61.9 Favored Glycine 0 C--O 1.227 -0.332 0 C-N-CA 120.967 -0.635 . . . . 0.42999999999999999 113.97 172.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -81.11 130.0 34.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.397 0.599 . . . . 2.5299999999999998 111.057 -177.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.625 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 13.5 ptt180 -104.02 170.91 7.64 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.172 0.805 . . . . 3.3700000000000001 113.172 -170.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.42 ' HE1' ' ND1' ' A' ' 78' ' ' HIS . 30.0 m-85 -143.92 177.96 8.18 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.411 -1.268 . . . . 0.67000000000000004 108.888 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.8 t -112.06 -19.03 7.17 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 N-CA-C 108.311 -0.996 . . . . 1.45 108.311 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.615 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 30.1 mt-30 -112.1 129.01 56.37 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 114.203 -1.362 . . . . 2.5299999999999998 109.692 -167.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 t -58.37 -46.74 85.75 Favored 'General case' 0 CA--C 1.516 -0.344 0 O-C-N 123.501 0.5 . . . . 1.74 109.98 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.5 p -57.02 -46.52 82.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.337 -0.847 . . . . 1.6100000000000001 110.683 177.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.615 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 16.1 mm100 -71.45 -36.96 71.41 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.513 -0.551 . . . . 2.3900000000000001 109.513 -172.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.9 tp -63.14 -57.02 11.94 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.415 -0.811 . . . . 2.4500000000000002 110.664 176.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.15 -38.78 74.03 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.231 -0.895 . . . . 1.1000000000000001 110.281 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -58.7 -46.43 87.33 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.465 0.65 . . . . 1.96 109.444 175.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.42 ' ND1' ' HE1' ' A' ' 69' ' ' PHE . 48.0 t60 -61.2 -47.31 86.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.831 -1.077 . . . . 0.58999999999999997 110.984 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.958 HD11 ' HA ' ' A' ' 62' ' ' CYS . 70.4 mt -80.06 -22.66 11.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.701 -0.681 . . . . 1.3999999999999999 112.135 -175.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -58.73 -24.61 61.84 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 120.949 0.404 . . . . 4.9100000000000001 111.362 171.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -88.52 8.78 26.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.181 0.515 . . . . 3.75 110.526 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.977 -0.556 . . . . 1.22 110.65 176.738 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.825 ' HH ' ' HG ' ' A' ' 72' ' ' SER . 87.5 m-85 . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.994 0.426 . . . . 2.02 111.14 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.604 HG22 ' HB3' ' A' ' 68' ' ' ARG . 24.3 t -127.02 138.01 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.699 0 N-CA-C 109.851 -0.426 . . . . 1.6299999999999999 109.851 175.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.421 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 41.4 t -71.81 102.94 2.98 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.846 -0.616 . . . . 0.38 109.906 177.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.1 -15.75 57.7 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.321 0.581 . . . . 2.79 110.167 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.411 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 53.5 mtt180 -87.11 -30.45 21.09 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.619 -0.718 . . . . 3.3999999999999999 112.417 -172.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.2 p -137.98 2.17 2.33 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 118.668 -1.213 . . . . 0.37 112.99 173.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.45 5.99 81.43 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 114.75 0.66 . . . . 0.42999999999999999 114.75 170.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.544 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 30.0 mmmt -96.81 143.56 27.61 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.899 0.849 . . . . 2.5299999999999998 109.858 177.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.604 ' HB3' HG22 ' A' ' 61' ' ' VAL . 13.1 ptt-85 -118.11 167.21 11.69 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 113.072 0.767 . . . . 3.3700000000000001 113.072 -171.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.567 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 14.7 m-85 -148.64 151.05 34.32 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.63 -1.168 . . . . 0.67000000000000004 109.538 -177.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 81.6 t -85.51 -30.93 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.255 0 CA-C-N 115.056 -0.975 . . . . 1.45 110.325 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.437 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 37.0 mt-30 -99.23 136.85 38.57 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 116.182 -0.463 . . . . 2.5299999999999998 111.303 -174.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.825 ' HG ' ' HH ' ' A' ' 60' ' ' TYR . 4.0 m -52.65 -51.32 60.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.759 -0.655 . . . . 1.74 110.731 178.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.1 m -61.48 -38.86 88.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.47 -0.786 . . . . 1.6100000000000001 111.258 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.505 ' HB3' ' CD1' ' A' ' 69' ' ' PHE . 22.1 mm-40 -71.47 -29.08 64.43 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.45 -0.341 . . . . 2.3900000000000001 110.661 -172.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.568 ' O ' HG12 ' A' ' 79' ' ' ILE . 34.0 tp -65.41 -55.86 15.74 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.22 -0.445 . . . . 2.4500000000000002 110.33 176.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.54 -23.96 65.49 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 116.038 -0.528 . . . . 1.1000000000000001 110.434 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.441 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 8.7 t30 -61.93 -40.76 96.6 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.051 -0.722 . . . . 1.96 109.051 169.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.558 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 49.0 t60 -66.19 -42.08 89.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.066 -0.97 . . . . 0.58999999999999997 110.525 175.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.568 HG12 ' O ' ' A' ' 75' ' ' LEU . 31.7 mm -67.13 -32.44 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 1.3999999999999999 110.697 178.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -57.4 -26.4 61.04 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 112.518 0.562 . . . . 4.9100000000000001 112.518 178.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -86.87 5.16 38.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.344 0.593 . . . . 3.75 110.3 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.539 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 7.9 m-70 . . . . . 0 C--N 1.321 -0.654 0 N-CA-C 108.696 -0.853 . . . . 1.22 108.696 171.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 1.1 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 67.2 m-85 . . . . . 0 CA--C 1.518 -0.262 0 CA-C-O 121.044 0.449 . . . . 2.02 111.679 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.562 HG11 ' HB3' ' A' ' 68' ' ' ARG . 23.2 t -125.64 148.54 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 CA-C-N 115.62 -0.718 . . . . 1.6299999999999999 110.084 177.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 52.9 t -81.01 105.51 12.29 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.684 -0.689 . . . . 0.38 109.7 175.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.84 -22.64 64.42 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.404 0.621 . . . . 2.79 109.928 176.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -84.23 -28.27 27.38 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.177 -0.919 . . . . 3.3999999999999999 113.111 -171.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.1 p -137.88 -2.28 1.92 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 118.546 -1.262 . . . . 0.37 112.438 174.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.77 -17.47 59.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.42999999999999999 113.805 174.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -78.27 141.37 38.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 117.463 0.632 . . . . 2.5299999999999998 111.031 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.562 ' HB3' HG11 ' A' ' 61' ' ' VAL . 8.4 ptp85 -119.37 163.31 17.38 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.108 0.48 . . . . 3.3700000000000001 112.106 -172.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.509 ' HE2' ' HD1' ' A' ' 78' ' ' HIS . 5.6 m-85 -141.32 146.27 36.5 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 122.114 0.959 . . . . 0.67000000000000004 111.334 -173.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.1 t -72.39 -38.12 59.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 113.546 -1.661 . . . . 1.45 110.18 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -101.32 129.17 47.25 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-N 115.419 -0.81 . . . . 2.5299999999999998 109.571 -170.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.3 p -55.26 -43.41 74.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.806 0.691 . . . . 1.74 110.61 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.7 p -65.71 -42.0 91.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.432 -0.803 . . . . 1.6100000000000001 111.426 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -75.33 -28.65 59.71 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.406 -0.961 . . . . 2.3900000000000001 108.406 -175.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 1.1 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 2.6 tm? -69.18 -49.23 58.55 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.01 -0.996 . . . . 2.4500000000000002 109.337 176.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.49 83.71 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.591 -0.731 . . . . 1.1000000000000001 110.265 172.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -58.69 -41.38 86.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.295 0.569 . . . . 1.96 109.869 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.52 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 23.6 t60 -59.37 -56.1 26.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.111 -0.95 . . . . 0.58999999999999997 111.158 178.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 79' ' ' ILE . 2.1 mp -66.85 -30.46 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.439 -0.346 . . . . 1.3999999999999999 111.772 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -56.28 -26.33 51.48 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 111.756 0.28 . . . . 4.9100000000000001 111.756 172.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -80.88 -7.03 59.36 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.253 0.549 . . . . 3.75 110.406 178.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 1.22 110.955 179.52 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.426 ' CE2' ' HA ' ' A' ' 72' ' ' SER . 19.6 m-85 . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 121.445 0.641 . . . . 2.02 111.101 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.924 HG22 ' HG2' ' A' ' 68' ' ' ARG . 64.0 t -117.93 137.14 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 115.289 -0.869 . . . . 1.6299999999999999 110.407 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.676 ' SG ' ' HB2' ' A' ' 64' ' ' ARG . 42.8 t -74.53 94.01 2.56 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 107.938 -1.134 . . . . 0.38 107.938 170.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -63.76 -14.09 49.56 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.308 0.575 . . . . 2.79 109.775 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.676 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 17.3 mtp180 -67.98 -54.01 21.74 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.343 -0.844 . . . . 3.3999999999999999 111.815 175.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.2 p -121.05 1.82 10.39 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 118.802 -1.159 . . . . 0.37 112.841 -176.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.4 11.96 79.39 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 120.916 -0.659 . . . . 0.42999999999999999 114.119 173.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -95.82 134.16 39.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 117.754 0.777 . . . . 2.5299999999999998 111.282 177.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.924 ' HG2' HG22 ' A' ' 61' ' ' VAL . 53.3 mtm-85 -97.31 157.54 15.92 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 113.151 0.797 . . . . 3.3700000000000001 113.151 -177.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 78' ' ' HIS . 12.5 m-85 -144.43 137.77 27.23 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.362 -1.29 . . . . 0.67000000000000004 109.769 176.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.5 t -82.29 -30.17 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 CA-C-N 114.376 -1.284 . . . . 1.45 110.921 -175.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.437 ' HB2' ' CG ' ' A' ' 74' ' ' GLN . 45.8 mt-30 -98.39 129.09 45.04 Favored 'General case' 0 N--CA 1.423 -1.799 0 O-C-N 122.27 -0.269 . . . . 2.5299999999999998 110.297 -174.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.426 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 31.7 m -50.34 -52.51 36.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.479 0.487 . . . . 1.74 111.69 -170.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.0 m -68.42 -25.33 64.97 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.77 -0.65 . . . . 1.6100000000000001 111.624 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.437 ' CG ' ' HB2' ' A' ' 71' ' ' GLN . 13.6 mm100 -78.13 -21.53 50.21 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 120.746 -0.382 . . . . 2.3900000000000001 110.568 -173.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.4 tp -65.9 -53.9 33.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.404 0.621 . . . . 2.4500000000000002 109.646 172.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.52 -36.26 75.76 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.159 -0.928 . . . . 1.1000000000000001 110.17 173.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -59.25 -45.77 90.27 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.484 -0.561 . . . . 1.96 109.484 175.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 69' ' ' PHE . 69.6 t60 -58.15 -51.45 69.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.827 -0.624 . . . . 0.58999999999999997 111.049 178.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.613 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 31.7 mt -72.97 -27.28 24.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.297 -0.41 . . . . 1.3999999999999999 111.844 -176.281 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -72.34 1.85 7.12 Favored 'General case' 0 N--CA 1.446 -0.649 0 O-C-N 121.922 -0.486 . . . . 4.9100000000000001 111.652 171.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 78' ' ' HIS . 38.9 m80 -98.41 -2.41 39.18 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.777 -0.453 . . . . 3.75 109.777 169.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.613 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.235 0.312 0 CA-C-N 115.978 -0.555 . . . . 1.22 111.785 -175.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.512 ' HB3' HD23 ' A' ' 75' ' ' LEU . 22.7 m-85 . . . . . 0 CA--C 1.516 -0.335 0 N-CA-C 109.568 -0.53 . . . . 2.02 109.568 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.617 HG22 ' HB3' ' A' ' 68' ' ' ARG . 22.2 t -122.7 142.83 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-O 121.046 0.451 . . . . 1.6299999999999999 110.464 -178.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.565 ' HA ' HD13 ' A' ' 79' ' ' ILE . 51.3 t -74.78 109.31 8.15 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.741 -0.663 . . . . 0.38 109.479 176.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.59 -22.95 64.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.078 -0.51 . . . . 2.79 110.981 178.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.513 ' HB2' ' CD2' ' A' ' 82' ' ' HIS . 78.1 mtt180 -87.58 -31.93 19.61 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 113.394 0.887 . . . . 3.3999999999999999 113.394 -171.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.4 p -132.9 -1.95 3.3 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 118.103 -1.439 . . . . 0.37 112.759 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.45 -11.3 72.43 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.524 -0.846 . . . . 0.42999999999999999 114.192 173.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -82.04 141.22 33.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.385 0.592 . . . . 2.5299999999999998 110.776 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.617 ' HB3' HG22 ' A' ' 61' ' ' VAL . 23.2 ptt180 -121.4 168.41 11.71 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.593 0.59 . . . . 3.3700000000000001 112.593 -173.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.43 ' CE2' ' HG3' ' A' ' 74' ' ' GLN . 75.7 m-85 -146.02 178.13 8.44 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 114.994 -1.003 . . . . 0.67000000000000004 109.58 -173.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -115.47 -23.7 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.236 0 N-CA-C 108.265 -1.013 . . . . 1.45 108.265 178.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.657 ' HB2' ' HB3' ' A' ' 74' ' ' GLN . 61.6 mt-30 -97.43 128.05 43.89 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 114.7 -1.136 . . . . 2.5299999999999998 109.444 -175.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.8 t -62.87 -42.75 99.88 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.49 -0.559 . . . . 1.74 109.49 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.4 t -63.2 -42.09 99.26 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.538 -0.756 . . . . 1.6100000000000001 109.917 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.657 ' HB3' ' HB2' ' A' ' 71' ' ' GLN . 6.5 tp-100 -72.78 -32.64 65.74 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.988 -0.745 . . . . 2.3900000000000001 108.988 -173.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.512 HD23 ' HB3' ' A' ' 60' ' ' TYR . 39.5 tp -64.14 -57.25 10.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.856 -1.066 . . . . 2.4500000000000002 110.145 176.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.497 ' O ' ' HG3' ' A' ' 80' ' ' ARG . . . -58.23 -37.81 75.59 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.365 -0.834 . . . . 1.1000000000000001 110.453 174.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -58.74 -45.26 90.07 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.674 -0.491 . . . . 1.96 109.674 175.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.436 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 73.8 t60 -58.39 -53.44 58.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.638 -0.71 . . . . 0.58999999999999997 110.848 178.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.565 HD13 ' HA ' ' A' ' 62' ' ' CYS . 38.8 mt -73.84 -23.72 19.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.451 -0.795 . . . . 1.3999999999999999 112.327 -175.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 16.3 mtm180 -55.51 -29.65 59.23 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.92 0.391 . . . . 4.9100000000000001 111.723 173.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -91.57 22.09 4.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.699 0.762 . . . . 3.75 110.271 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.513 ' CD2' ' HB2' ' A' ' 64' ' ' ARG . 1.6 m-70 . . . . . 0 C--N 1.321 -0.641 0 CA-C-O 121.483 0.659 . . . . 1.22 109.826 172.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.565 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 5.2 m-85 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 121.243 0.544 . . . . 2.02 111.266 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.496 HG21 ' HB3' ' A' ' 68' ' ' ARG . 54.7 t -113.77 136.79 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 115.343 -0.844 . . . . 1.6299999999999999 110.169 177.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.526 ' SG ' ' HB2' ' A' ' 64' ' ' ARG . 14.6 t -73.15 98.83 2.67 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.406 -0.961 . . . . 0.38 108.406 171.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.2 -17.91 65.02 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.478 -0.564 . . . . 2.79 109.478 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.526 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 51.2 mtp180 -70.51 -42.09 71.75 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.451 -0.795 . . . . 3.3999999999999999 111.489 -177.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.2 p -133.8 4.42 3.57 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 118.985 -1.086 . . . . 0.37 112.688 177.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.33 -11.33 72.38 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 114.624 0.61 . . . . 0.42999999999999999 114.624 170.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -88.52 122.91 32.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.713 0.757 . . . . 2.5299999999999998 110.898 -176.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.496 ' HB3' HG21 ' A' ' 61' ' ' VAL . 21.2 ptt180 -107.22 168.65 9.07 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 112.558 0.577 . . . . 3.3700000000000001 112.558 -174.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.53 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 37.7 m-85 -140.72 143.37 34.97 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 115.052 -0.976 . . . . 0.67000000000000004 109.75 -178.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.2 t -68.65 -27.22 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 CA-C-N 114.326 -1.306 . . . . 1.45 110.604 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.403 HE21 ' HB3' ' A' ' 71' ' ' GLN . 4.7 mt-30 -108.29 130.69 55.17 Favored 'General case' 0 N--CA 1.429 -1.525 0 CA-C-O 120.92 0.391 . . . . 2.5299999999999998 110.38 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 m -56.41 -39.64 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.567 -0.742 . . . . 1.74 110.603 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.0 t -59.58 -43.75 93.53 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.674 -0.694 . . . . 1.6100000000000001 110.501 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -75.48 -32.35 60.54 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.536 -0.302 . . . . 2.3900000000000001 110.362 -174.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.723 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 2.2 tm? -71.17 -38.9 72.14 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.313 -0.625 . . . . 2.4500000000000002 109.313 177.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' A' ' 80' ' ' ARG . . . -75.68 -29.97 59.22 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.094 -0.643 . . . . 1.1000000000000001 109.939 176.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -62.24 -37.79 86.77 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.368 -0.975 . . . . 1.96 108.368 170.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.723 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 50.7 t60 -58.86 -49.25 78.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.725 -1.125 . . . . 0.58999999999999997 110.451 173.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 75' ' ' LEU . 33.1 mm -63.76 -39.87 86.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.904 -0.589 . . . . 1.3999999999999999 110.799 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 88.1 mtt180 -55.26 -31.26 61.4 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 113.137 0.791 . . . . 4.9100000000000001 113.137 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.454 ' NE2' ' HA ' ' A' ' 78' ' ' HIS . 30.4 p80 -99.44 29.77 3.86 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.444 0.64 . . . . 3.75 111.121 176.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.8 m-70 . . . . . 0 C--N 1.327 -0.405 0 N-CA-C 109.102 -0.703 . . . . 1.22 109.102 168.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.511 ' HB3' HD22 ' A' ' 75' ' ' LEU . 97.5 m-85 . . . . . 0 N--CA 1.454 -0.233 0 CA-C-O 121.33 0.586 . . . . 2.02 111.327 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.811 HG23 ' HG2' ' A' ' 68' ' ' ARG . 95.3 t -128.83 134.58 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 CA-C-N 115.563 -0.744 . . . . 1.6299999999999999 110.864 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.672 ' HA ' HD12 ' A' ' 79' ' ' ILE . 50.1 t -71.93 93.54 1.36 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.709 -0.849 . . . . 0.38 108.709 173.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.94 -19.4 17.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.079 0.466 . . . . 2.79 110.481 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.46 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 28.2 mtp180 -74.29 -44.63 51.95 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.665 -0.698 . . . . 3.3999999999999999 112.531 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.525 ' SG ' ' HG2' ' A' ' 67' ' ' LYS . 18.1 p -123.45 -17.62 6.46 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 118.205 -1.398 . . . . 0.37 112.671 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.6 1.77 43.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.545 -0.836 . . . . 0.42999999999999999 113.85 176.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.525 ' HG2' ' SG ' ' A' ' 65' ' ' CYS . 29.1 mmmt -84.33 138.96 32.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 117.587 0.693 . . . . 2.5299999999999998 110.523 178.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.811 ' HG2' HG23 ' A' ' 61' ' ' VAL . 75.8 mtt85 -107.66 158.18 17.48 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 113.83 1.048 . . . . 3.3700000000000001 113.83 -171.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -146.15 168.7 20.36 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.009 -1.451 . . . . 0.67000000000000004 109.228 178.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 t -114.64 -24.6 3.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 N-CA-C 108.178 -1.045 . . . . 1.45 108.178 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.58 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 69.8 mm-40 -93.44 128.41 39.51 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-N 114.686 -1.143 . . . . 2.5299999999999998 109.756 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.7 t -59.8 -41.47 91.28 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.999 -0.741 . . . . 1.74 108.999 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.8 t -59.85 -46.46 89.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.084 -0.962 . . . . 1.6100000000000001 110.472 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.58 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 85.4 mt-30 -72.64 -32.42 65.87 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 110.242 -0.281 . . . . 2.3900000000000001 110.242 -173.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.511 HD22 ' HB3' ' A' ' 60' ' ' TYR . 31.5 tp -62.72 -57.4 11.1 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.101 -0.5 . . . . 2.4500000000000002 110.115 175.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.16 -38.46 73.59 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.361 -0.836 . . . . 1.1000000000000001 110.23 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -59.29 -45.13 92.08 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.526 -0.546 . . . . 1.96 109.526 175.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -60.95 -46.88 88.95 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.393 -0.821 . . . . 0.58999999999999997 111.326 -178.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.672 HD12 ' HA ' ' A' ' 62' ' ' CYS . 59.6 mt -80.68 -23.04 11.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.965 -0.561 . . . . 1.3999999999999999 111.794 -175.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -69.99 0.17 6.44 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 122.052 -0.405 . . . . 4.9100000000000001 111.447 171.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -112.83 22.68 14.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.087 0.47 . . . . 3.75 109.852 172.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 115.837 -0.619 . . . . 1.22 111.11 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 . . . . . 0 N--CA 1.448 -0.53 0 CA-C-O 121.048 0.451 . . . . 2.02 110.904 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.552 HG13 ' HB3' ' A' ' 68' ' ' ARG . 30.4 t -140.66 144.51 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 115.706 -0.679 . . . . 1.6299999999999999 109.461 176.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.5 ' SG ' ' HB2' ' A' ' 64' ' ' ARG . 42.3 t -77.41 107.82 10.11 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.081 -0.509 . . . . 0.38 110.087 177.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.23 -19.04 65.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.396 0.617 . . . . 2.79 109.909 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.5 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 18.2 mtp180 -79.36 -35.64 40.57 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 113.067 0.766 . . . . 3.3999999999999999 113.067 -176.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.5 p -140.1 3.96 2.02 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 118.302 -1.359 . . . . 0.37 113.171 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.53 -22.27 36.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.446 -0.883 . . . . 0.42999999999999999 113.79 174.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -66.87 125.6 26.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 117.489 0.644 . . . . 2.5299999999999998 111.396 -177.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.552 ' HB3' HG13 ' A' ' 61' ' ' VAL . 14.8 ptp180 -105.33 164.99 11.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.016 -0.538 . . . . 3.3700000000000001 111.143 -176.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -144.6 149.65 36.14 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 121.377 0.608 . . . . 0.67000000000000004 110.131 -173.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.0 t -77.21 -36.99 25.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 CA-C-N 114.961 -1.018 . . . . 1.45 109.672 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -102.23 140.58 36.32 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 115.718 -0.674 . . . . 2.5299999999999998 110.862 -170.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.8 p -63.25 -39.45 94.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.584 -0.734 . . . . 1.74 110.153 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.2 t -61.4 -48.29 81.91 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.728 -0.669 . . . . 1.6100000000000001 110.287 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -64.74 -38.84 92.34 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 109.1 -0.704 . . . . 2.3900000000000001 109.1 -176.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 63.2 tp -61.84 -60.54 3.5 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.187 -0.915 . . . . 2.4500000000000002 110.54 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.4 -43.66 68.08 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.424 -0.807 . . . . 1.1000000000000001 110.399 176.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -59.63 -42.39 92.6 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.451 -0.574 . . . . 1.96 109.451 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -62.09 -53.06 60.73 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.36 -0.836 . . . . 0.58999999999999997 111.205 -177.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.494 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 2.1 mp -69.76 -33.01 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 116.412 -0.358 . . . . 1.3999999999999999 111.134 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -62.21 -24.44 67.22 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.967 0.413 . . . . 4.9100000000000001 111.112 174.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -83.47 -4.61 58.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.908 -0.587 . . . . 3.75 110.419 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.494 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 5.0 m-70 . . . . . 0 C--N 1.326 -0.429 0 CA-C-O 121.034 0.445 . . . . 1.22 111.587 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.469 ' HB2' ' O ' ' A' ' 69' ' ' PHE . 75.8 m-85 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 121.681 0.753 . . . . 2.02 111.741 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.622 HG22 ' HB3' ' A' ' 68' ' ' ARG . 38.4 t -128.01 139.96 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 CA-C-N 115.323 -0.853 . . . . 1.6299999999999999 109.812 177.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.418 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 52.4 t -72.0 101.1 2.62 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.775 -0.824 . . . . 0.38 108.775 175.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -59.81 -16.58 29.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.224 0.535 . . . . 2.79 110.607 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -87.56 -35.72 17.96 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 115.83 -0.623 . . . . 3.3999999999999999 112.541 -173.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.1 p -129.85 4.11 4.94 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 118.404 -1.318 . . . . 0.37 112.101 177.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.5 -15.13 57.84 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 120.907 -0.663 . . . . 0.42999999999999999 113.909 172.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -78.57 133.92 37.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.432 0.616 . . . . 2.5299999999999998 110.853 -177.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.622 ' HB3' HG22 ' A' ' 61' ' ' VAL . 16.8 ptt180 -113.73 168.97 9.33 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.481 0.658 . . . . 3.3700000000000001 112.493 -173.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.469 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 15.1 m-85 -147.48 153.4 39.49 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 114.489 -1.232 . . . . 0.67000000000000004 109.017 -177.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.2 -33.57 6.59 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 CA-C-N 115.35 -0.841 . . . . 1.45 109.17 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.529 ' NE2' ' HG3' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -89.59 127.46 35.9 Favored 'General case' 0 N--CA 1.414 -2.23 0 CA-C-N 115.619 -0.719 . . . . 2.5299999999999998 109.414 -177.03 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.9 t -63.77 -36.67 84.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.73 -0.668 . . . . 1.74 109.815 -178.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.0 t -65.94 -39.0 90.08 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.338 -0.846 . . . . 1.6100000000000001 110.072 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.529 ' HG3' ' NE2' ' A' ' 71' ' ' GLN . 85.3 mm-40 -78.95 -23.28 44.69 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.011 0.434 . . . . 2.3900000000000001 109.906 -174.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.442 HD21 ' HB3' ' A' ' 60' ' ' TYR . 24.0 tp -63.9 -54.13 39.58 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.588 -0.733 . . . . 2.4500000000000002 109.953 172.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.53 86.86 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.066 -0.97 . . . . 1.1000000000000001 109.94 173.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.43 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 47.0 t30 -56.67 -45.18 81.86 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.545 -0.539 . . . . 1.96 109.545 175.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.423 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 79.5 t60 -57.97 -53.05 62.66 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.623 -0.717 . . . . 0.58999999999999997 110.979 178.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.498 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 47.0 mt -76.48 -22.94 15.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.882 -0.599 . . . . 1.3999999999999999 112.02 -174.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.456 ' HA ' ' NE ' ' A' ' 80' ' ' ARG . 1.4 mmp_? -63.07 -17.96 62.84 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 121.927 -0.483 . . . . 4.9100000000000001 111.402 172.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -99.18 18.96 16.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.186 0.517 . . . . 3.75 110.524 177.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.498 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 115.801 -0.636 . . . . 1.22 110.522 175.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.517 ' HB3' HD22 ' A' ' 75' ' ' LEU . 41.0 m-85 . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 121.179 0.514 . . . . 2.02 110.248 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.668 ' HB ' ' HG2' ' A' ' 68' ' ' ARG . 7.6 p -123.15 139.97 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 CA-C-N 115.862 -0.608 . . . . 1.6299999999999999 110.096 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.7 ' SG ' HG12 ' A' ' 79' ' ' ILE . 33.7 t -71.73 95.57 1.5 Allowed 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.556 -0.905 . . . . 0.38 108.556 173.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.35 -10.1 10.21 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.067 0.461 . . . . 2.79 110.924 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.591 ' HD3' HG21 ' A' ' 79' ' ' ILE . 29.6 mtp180 -81.44 -35.06 31.07 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.996 -0.547 . . . . 3.3999999999999999 112.465 177.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 23.4 p -129.96 -4.07 4.55 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 118.741 -1.184 . . . . 0.37 112.981 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.05 -8.79 77.58 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.794 -0.717 . . . . 0.42999999999999999 113.762 175.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -88.49 130.08 35.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 117.415 0.607 . . . . 2.5299999999999998 111.364 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.668 ' HG2' ' HB ' ' A' ' 61' ' ' VAL . 21.2 mtm180 -91.45 163.42 14.18 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 113.679 0.992 . . . . 3.3700000000000001 113.679 -175.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.511 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 15.2 m-85 -143.09 147.26 34.73 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 113.842 -1.526 . . . . 0.67000000000000004 108.856 177.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.9 t -84.38 -32.5 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 CA-C-N 114.975 -1.011 . . . . 1.45 110.256 -176.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.508 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 47.9 mt-30 -97.63 131.63 44.02 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 116.226 -0.443 . . . . 2.5299999999999998 110.23 -176.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 38.1 t -58.13 -42.46 85.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.194 0.521 . . . . 1.74 109.739 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 m -60.37 -46.04 91.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.305 -0.862 . . . . 1.6100000000000001 110.575 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.508 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 29.9 mm-40 -75.66 -25.77 57.11 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.476 -0.329 . . . . 2.3900000000000001 110.293 -174.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.517 HD22 ' HB3' ' A' ' 60' ' ' TYR . 34.3 tp -63.2 -57.22 11.24 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.285 0.564 . . . . 2.4500000000000002 110.008 173.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.59 -38.82 75.53 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.15 -0.932 . . . . 1.1000000000000001 109.914 174.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -56.87 -46.82 81.58 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.482 -0.562 . . . . 1.96 109.482 175.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -60.31 -52.29 65.88 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.157 -0.929 . . . . 0.58999999999999997 110.796 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.7 HG12 ' SG ' ' A' ' 62' ' ' CYS . 15.1 mt -71.29 -27.79 30.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.195 -0.457 . . . . 1.3999999999999999 111.817 -176.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -62.85 -20.57 65.22 Favored 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 122.072 -0.393 . . . . 4.9100000000000001 111.101 172.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -86.85 2.97 47.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.085 0.469 . . . . 3.75 110.575 177.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.481 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.7 m-70 . . . . . 0 C--N 1.327 -0.382 0 CA-C-O 121.366 0.603 . . . . 1.22 110.237 175.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.54 ' HB3' HD23 ' A' ' 75' ' ' LEU . 87.4 m-85 . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 121.136 0.493 . . . . 2.02 110.744 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.674 ' HB ' ' HG2' ' A' ' 68' ' ' ARG . 7.5 p -128.72 142.74 43.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.364 -0.834 . . . . 1.6299999999999999 109.761 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.853 ' HA ' HD11 ' A' ' 79' ' ' ILE . 39.3 t -68.72 104.04 1.9 Allowed 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.328 -0.619 . . . . 0.38 109.328 175.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -48.88 -31.68 7.63 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 123.923 0.764 . . . . 2.79 111.478 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.407 ' HB2' ' CD2' ' A' ' 82' ' ' HIS . 82.0 mtt180 -82.36 -47.86 11.82 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 113.048 0.759 . . . . 3.3999999999999999 113.048 -174.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.6 p -114.76 -4.49 12.7 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 118.754 -1.178 . . . . 0.37 112.093 -173.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.69 -1.53 85.55 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.852 -0.689 . . . . 0.42999999999999999 113.968 173.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -82.7 120.45 25.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.649 0.724 . . . . 2.5299999999999998 111.538 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.674 ' HG2' ' HB ' ' A' ' 61' ' ' VAL . 75.0 mtm180 -79.67 158.41 27.01 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.842 -0.617 . . . . 3.3700000000000001 112.596 178.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -141.78 147.81 37.9 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 114.708 -1.133 . . . . 0.67000000000000004 110.137 -177.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.1 t -81.14 -33.52 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 CA-C-N 114.006 -1.452 . . . . 1.45 110.153 -178.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.594 ' HB2' ' CB ' ' A' ' 74' ' ' GLN . 16.5 mm-40 -97.19 128.2 43.86 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-N 115.846 -0.615 . . . . 2.5299999999999998 110.003 -175.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.9 m -59.63 -44.67 93.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.805 -0.634 . . . . 1.74 109.722 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.3 t -66.94 -36.51 82.39 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.336 -0.847 . . . . 1.6100000000000001 110.38 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.594 ' CB ' ' HB2' ' A' ' 71' ' ' GLN . 6.0 tp-100 -74.77 -29.55 61.16 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.101 -0.703 . . . . 2.3900000000000001 109.101 -174.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.54 HD23 ' HB3' ' A' ' 60' ' ' TYR . 25.0 tp -60.97 -59.74 4.89 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.698 -0.683 . . . . 2.4500000000000002 110.238 173.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.64 -39.46 70.89 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.026 -0.988 . . . . 1.1000000000000001 110.166 176.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -62.14 -43.35 99.03 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.311 -0.626 . . . . 1.96 109.311 177.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.451 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 71.6 t60 -58.78 -51.2 70.98 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.429 -0.805 . . . . 0.58999999999999997 110.39 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.853 HD11 ' HA ' ' A' ' 62' ' ' CYS . 10.6 mt -71.36 -33.29 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.127 -0.488 . . . . 1.3999999999999999 111.737 -177.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -62.21 -19.79 63.51 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 111.739 0.274 . . . . 4.9100000000000001 111.739 174.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -89.7 5.82 44.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.915 0.388 . . . . 3.75 110.782 175.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.538 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 2.0 m-70 . . . . . 0 C--N 1.327 -0.387 0 N-CA-C 109.443 -0.577 . . . . 1.22 109.443 172.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 N--CA 1.451 -0.416 0 CA-C-O 121.593 0.711 . . . . 2.02 111.345 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.526 HG12 ' HB3' ' A' ' 68' ' ' ARG . 43.6 t -126.13 146.65 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-N 114.769 -1.105 . . . . 1.6299999999999999 109.745 178.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.782 ' HA ' HD12 ' A' ' 79' ' ' ILE . 47.8 t -69.05 94.71 0.67 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.667 -0.864 . . . . 0.38 108.667 174.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -56.64 -20.01 19.13 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.562 0.696 . . . . 2.79 110.164 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -87.54 -26.15 23.3 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.137 -0.938 . . . . 3.3999999999999999 113.193 -172.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.1 p -134.7 -5.38 2.5 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 117.96 -1.496 . . . . 0.37 112.86 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.69 -5.27 66.78 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.817 -0.706 . . . . 0.42999999999999999 114.143 173.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -89.1 145.84 25.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.569 0.684 . . . . 2.5299999999999998 110.654 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.526 ' HB3' HG12 ' A' ' 61' ' ' VAL . 12.2 ptm180 -123.9 172.07 9.2 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.858 0.688 . . . . 3.3700000000000001 112.858 -171.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.517 ' HB2' HD23 ' A' ' 75' ' ' LEU . 13.5 m-85 -141.89 170.72 15.19 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 115.022 -0.99 . . . . 0.67000000000000004 109.037 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -105.53 -21.82 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.292 0 N-CA-C 107.464 -1.31 . . . . 1.45 107.464 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.588 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 11.4 mm-40 -102.81 128.09 49.71 Favored 'General case' 0 N--CA 1.424 -1.732 0 CA-C-N 113.902 -1.499 . . . . 2.5299999999999998 108.85 -178.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.6 t -60.46 -43.18 97.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.237 0.541 . . . . 1.74 109.81 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.2 t -67.92 -32.37 72.79 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.585 -0.734 . . . . 1.6100000000000001 110.661 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.588 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 16.9 mt-30 -79.26 -27.77 42.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.381 -0.528 . . . . 2.3900000000000001 109.915 -175.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.534 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 1.3 tm? -72.31 -39.77 68.0 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.241 -1.022 . . . . 2.4500000000000002 108.241 176.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.13 -38.06 84.92 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.69 -0.485 . . . . 1.1000000000000001 109.69 174.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -60.96 -41.62 96.68 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.233 -0.654 . . . . 1.96 109.233 175.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.534 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 30.3 t60 -55.87 -52.84 62.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.835 -1.075 . . . . 0.58999999999999997 111.242 177.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 62' ' ' CYS . 53.6 mt -76.1 -27.93 18.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.098 -0.501 . . . . 1.3999999999999999 112.063 -177.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -69.11 -19.8 64.05 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 120.987 0.422 . . . . 4.9100000000000001 110.742 171.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -79.4 -6.75 57.52 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.501 0.667 . . . . 3.75 109.782 172.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.583 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 8.5 m-70 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.578 -0.737 . . . . 1.22 110.106 173.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 45.6 mmtm . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.738 0.304 . . . . 5.7000000000000002 110.534 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 4.4 Cg_exo -75.62 55.74 4.38 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 123.791 2.994 . . . . 2.0099999999999998 111.995 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.497 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 51.2 m-85 -125.93 96.62 4.81 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.561 -0.745 . . . . 2.02 110.293 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.731 HG22 ' HB3' ' A' ' 68' ' ' ARG . 21.4 t -125.75 144.29 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 CA-C-N 115.7 -0.682 . . . . 1.6299999999999999 110.022 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.892 ' HA ' HD12 ' A' ' 79' ' ' ILE . 53.9 t -68.78 101.11 1.26 Allowed 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.614 -0.721 . . . . 0.38 110.226 177.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -56.73 -23.84 45.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.37 0.605 . . . . 2.79 110.316 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -84.9 -27.01 26.93 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 113.391 0.886 . . . . 3.3999999999999999 113.391 -172.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 12.4 p -139.54 -4.1 1.46 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 118.115 -1.434 . . . . 0.37 113.631 175.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.62 12.33 61.07 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 120.276 -0.964 . . . . 0.42999999999999999 114.403 173.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -99.78 137.63 37.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 117.664 0.732 . . . . 2.5299999999999998 111.191 175.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.731 ' HB3' HG22 ' A' ' 61' ' ' VAL . 32.7 ptt180 -113.93 167.85 10.3 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.167 -0.47 . . . . 3.3700000000000001 111.99 -176.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.495 ' HB2' HD21 ' A' ' 75' ' ' LEU . 12.4 m-85 -142.25 147.61 36.75 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-O 121.899 0.857 . . . . 0.67000000000000004 111.072 -176.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 66.9 t -69.8 -32.19 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.265 0 CA-C-N 113.678 -1.601 . . . . 1.45 110.364 176.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.604 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 0.2 OUTLIER -105.03 128.9 53.52 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 116.121 -0.49 . . . . 2.5299999999999998 110.094 -178.865 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.2 m -61.08 -37.23 81.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.854 -0.612 . . . . 1.74 109.728 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.9 t -60.85 -41.86 96.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.189 -0.914 . . . . 1.6100000000000001 110.737 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.604 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 0.5 OUTLIER -75.88 -30.76 58.96 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 109.651 -0.499 . . . . 2.3900000000000001 109.651 -174.391 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.503 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 1.1 tm? -70.0 -41.97 73.67 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.88 -0.785 . . . . 2.4500000000000002 108.88 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.97 -37.21 81.26 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.815 -0.439 . . . . 1.1000000000000001 109.815 175.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -61.32 -41.61 97.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.585 0.707 . . . . 1.96 109.246 174.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.503 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 55.0 t60 -57.16 -53.4 58.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.865 -1.061 . . . . 0.58999999999999997 111.011 177.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.892 HD12 ' HA ' ' A' ' 62' ' ' CYS . 67.2 mt -76.46 -22.68 15.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.088 -0.506 . . . . 1.3999999999999999 111.927 -176.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.58 -28.56 60.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 120.91 0.386 . . . . 4.9100000000000001 110.932 168.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -82.85 -1.84 53.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 3.75 111.105 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -105.17 -0.71 26.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.148 -0.478 . . . . 1.22 109.943 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 37.8 t70 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.522 -0.751 . . . . 3.4300000000000002 110.058 -176.505 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' A' ' 70' ' ' VAL . 12.1 mptt . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.67 0.271 . . . . 5.7000000000000002 110.331 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -86.07 35.13 0.48 Allowed 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 123.213 2.608 . . . . 2.0099999999999998 112.349 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.686 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 20.9 m-85 -85.15 101.0 12.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.512 0.672 . . . . 2.02 111.062 -177.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.621 HG23 ' HG2' ' A' ' 68' ' ' ARG . 29.0 t -120.59 143.18 33.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 CA-C-N 115.044 -0.98 . . . . 1.6299999999999999 109.953 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.741 ' HA ' HD12 ' A' ' 79' ' ' ILE . 49.2 t -81.32 104.9 12.1 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.202 -0.666 . . . . 0.38 109.202 173.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -65.25 -20.55 66.47 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.438 0.637 . . . . 2.79 109.771 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -76.91 -32.95 57.76 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.393 -0.821 . . . . 3.3999999999999999 112.539 -175.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.0 p -139.07 10.25 2.57 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 118.579 -1.248 . . . . 0.37 112.699 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.73 -16.66 24.94 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 114.184 0.433 . . . . 0.42999999999999999 114.184 171.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -81.27 137.79 35.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.227 0.513 . . . . 2.5299999999999998 112.031 -173.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.621 ' HG2' HG23 ' A' ' 61' ' ' VAL . 19.1 mtp180 -102.23 172.29 6.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 113.854 1.057 . . . . 3.3700000000000001 113.854 -173.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.623 ' HE2' ' ND1' ' A' ' 78' ' ' HIS . 16.8 m-85 -146.47 143.31 28.89 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 113.907 -1.497 . . . . 0.67000000000000004 109.42 172.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.407 ' O ' ' HD3' ' A' ' 58' ' ' LYS . 6.8 t -75.22 -32.86 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.346 0 CA-C-N 114.38 -1.282 . . . . 1.45 109.692 179.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -96.62 129.13 44.06 Favored 'General case' 0 N--CA 1.423 -1.823 0 CA-C-N 116.019 -0.537 . . . . 2.5299999999999998 110.198 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 p -55.61 -43.76 76.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.378 -0.828 . . . . 1.74 110.467 178.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.8 m -59.3 -42.33 91.09 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.252 -0.886 . . . . 1.6100000000000001 111.029 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.418 HE21 ' HB3' ' A' ' 74' ' ' GLN . 18.1 mt-30 -75.25 -32.77 61.19 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 110.147 -0.316 . . . . 2.3900000000000001 110.147 -172.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.686 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 1.6 tm? -71.73 -40.31 69.51 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.024 -0.732 . . . . 2.4500000000000002 109.024 178.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.24 -36.27 81.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.735 -0.469 . . . . 1.1000000000000001 109.735 175.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -63.07 -41.78 99.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.548 0.69 . . . . 1.96 109.244 174.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.623 ' ND1' ' HE2' ' A' ' 69' ' ' PHE . 43.3 t60 -56.66 -46.95 80.78 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.582 -1.19 . . . . 0.58999999999999997 111.445 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' ' 62' ' ' CYS . 62.4 mt -80.57 -30.35 12.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 112.185 0.439 . . . . 1.3999999999999999 112.185 -177.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -60.77 -25.02 66.21 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.316 0.579 . . . . 4.9100000000000001 110.573 167.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.408 ' HB3' ' O ' ' A' ' 78' ' ' HIS . 8.4 t-160 -76.59 -7.23 54.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.404 -0.817 . . . . 3.75 109.736 176.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -97.8 -9.42 26.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.003 -0.544 . . . . 1.22 110.786 177.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.502 -0.761 . . . . 3.4300000000000002 110.442 -179.069 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.518 ' HD2' ' HD2' ' A' ' 68' ' ' ARG . 63.0 mttm . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 109.792 -0.447 . . . . 5.7000000000000002 109.792 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 2.9 Cg_exo -76.4 -24.6 10.53 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.143 2.562 . . . . 2.0099999999999998 113.967 -169.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.742 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 94.2 m-85 -129.0 122.23 29.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.381 0.61 . . . . 2.02 111.888 -174.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.575 HG13 ' HB3' ' A' ' 68' ' ' ARG . 59.0 t -133.64 142.16 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 CA-C-N 115.401 -0.818 . . . . 1.6299999999999999 109.545 178.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.673 ' HA ' HD11 ' A' ' 79' ' ' ILE . 53.2 t -71.46 100.55 2.23 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.371 -0.603 . . . . 0.38 109.371 175.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -51.87 -28.85 17.46 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.375 0.607 . . . . 2.79 110.568 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -80.01 -36.8 35.34 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.07 -0.968 . . . . 3.3999999999999999 113.12 -170.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.522 ' SG ' ' HD2' ' A' ' 67' ' ' LYS . 14.0 p -134.38 7.9 3.64 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 118.607 -1.237 . . . . 0.37 112.643 178.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.81 -19.24 16.8 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 121.039 -0.601 . . . . 0.42999999999999999 113.86 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.522 ' HD2' ' SG ' ' A' ' 65' ' ' CYS . 55.9 mttm -73.21 128.4 35.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.215 0.507 . . . . 2.5299999999999998 110.271 -177.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.575 ' HB3' HG13 ' A' ' 61' ' ' VAL . 31.5 ptt180 -115.15 168.92 9.51 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.46 0.648 . . . . 3.3700000000000001 112.676 -170.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.513 ' HE2' ' ND1' ' A' ' 78' ' ' HIS . 48.5 m-85 -149.07 143.46 26.06 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 114.618 -1.174 . . . . 0.67000000000000004 108.877 -177.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.445 HG11 HE21 ' A' ' 71' ' ' GLN . 21.6 t -74.06 -30.4 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 CA-C-N 114.945 -1.025 . . . . 1.45 110.319 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.445 HE21 HG11 ' A' ' 70' ' ' VAL . 18.8 mm-40 -100.09 129.23 46.11 Favored 'General case' 0 N--CA 1.424 -1.738 0 CA-C-N 116.23 -0.441 . . . . 2.5299999999999998 110.791 -178.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.437 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 33.1 t -56.82 -40.0 75.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.217 -0.901 . . . . 1.74 110.444 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.8 t -62.76 -40.08 96.18 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.774 -0.648 . . . . 1.6100000000000001 110.276 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -79.35 -30.13 42.51 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.828 0.347 . . . . 2.3900000000000001 110.214 -175.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.742 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 1.1 tm? -69.94 -40.62 75.36 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.885 -0.783 . . . . 2.4500000000000002 108.885 175.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' A' ' 80' ' ' ARG . . . -68.15 -38.57 82.28 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 109.49 -0.559 . . . . 1.1000000000000001 109.49 175.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -57.75 -42.3 83.68 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.547 0.689 . . . . 1.96 109.155 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.513 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 55.6 t60 -58.15 -53.69 55.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.679 -1.146 . . . . 0.58999999999999997 111.61 177.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.673 HD11 ' HA ' ' A' ' 62' ' ' CYS . 64.7 mt -75.6 -21.6 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.848 -0.615 . . . . 1.3999999999999999 111.774 -176.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 72.4 mtt180 -61.67 -16.86 52.49 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.935 0.398 . . . . 4.9100000000000001 111.909 171.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -90.18 -2.67 58.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.362 0.601 . . . . 3.75 110.037 175.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 10.1 m-70 -92.13 -12.99 31.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.175 -0.466 . . . . 1.22 111.024 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 C--O 1.244 0.807 0 CA-C-O 119.004 -0.522 . . . . 3.4300000000000002 110.121 178.175 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 75.8 mmtt . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.583 0.23 . . . . 5.7000000000000002 110.554 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -87.18 46.12 1.36 Allowed 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 123.316 2.677 . . . . 2.0099999999999998 112.348 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.582 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 13.3 m-85 -89.32 127.06 35.76 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.997 -0.547 . . . . 2.02 111.074 -175.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.829 HG22 ' HG2' ' A' ' 68' ' ' ARG . 66.7 t -124.42 136.79 59.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.383 -0.826 . . . . 1.6299999999999999 110.214 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.612 ' HA ' HD13 ' A' ' 79' ' ' ILE . 31.4 t -67.2 104.18 1.4 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.297 -0.411 . . . . 0.38 110.111 176.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -55.03 -28.01 48.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.963 -0.562 . . . . 2.79 111.083 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.541 ' HD3' HG23 ' A' ' 79' ' ' ILE . 30.1 mtp180 -78.75 -38.17 39.38 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 113.431 0.9 . . . . 3.3999999999999999 113.431 -173.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.1 p -133.34 -4.43 3.01 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 118.093 -1.443 . . . . 0.37 113.036 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.2 -10.32 65.47 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.528 -0.844 . . . . 0.42999999999999999 114.197 173.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -75.97 140.48 42.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 117.679 0.74 . . . . 2.5299999999999998 111.359 -177.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.829 ' HG2' HG22 ' A' ' 61' ' ' VAL . 53.4 mtt180 -103.05 160.87 14.25 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 113.157 0.799 . . . . 3.3700000000000001 113.157 -174.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.553 ' HE2' ' ND1' ' A' ' 78' ' ' HIS . 38.8 m-85 -149.46 139.42 21.98 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 114.299 -1.319 . . . . 0.67000000000000004 109.934 176.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.5 t -73.14 -30.52 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 CA-C-N 114.044 -1.435 . . . . 1.45 110.493 -177.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -101.65 129.39 47.77 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-N 116.271 -0.422 . . . . 2.5299999999999998 110.091 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.5 m -55.53 -40.78 72.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.278 -0.874 . . . . 1.74 110.352 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.7 p -65.99 -35.5 80.75 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.52 -0.764 . . . . 1.6100000000000001 111.27 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -76.4 -31.84 58.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.88 -0.415 . . . . 2.3900000000000001 109.88 -176.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.582 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 1.2 tm? -69.54 -40.78 76.67 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.613 -0.884 . . . . 2.4500000000000002 108.613 175.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.93 -38.75 86.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.806 -0.634 . . . . 1.1000000000000001 110.037 175.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -60.62 -42.66 97.32 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.467 -0.568 . . . . 1.96 109.467 174.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.553 ' ND1' ' HE2' ' A' ' 69' ' ' PHE . 65.5 t60 -54.27 -52.74 60.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.063 -0.972 . . . . 0.58999999999999997 111.151 177.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.612 HD13 ' HA ' ' A' ' 62' ' ' CYS . 50.4 mt -76.2 -31.96 21.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.907 -0.588 . . . . 1.3999999999999999 112.107 -177.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 29.9 mtm180 -68.08 -12.15 60.33 Favored 'General case' 0 N--CA 1.444 -0.767 0 O-C-N 122.022 -0.423 . . . . 4.9100000000000001 111.357 173.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -96.3 2.54 52.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.589 -0.278 . . . . 3.75 110.785 173.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.526 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.6 m-70 -80.2 70.1 6.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.953 0.406 . . . . 1.22 110.683 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.507 -0.759 . . . . 3.4300000000000002 109.851 177.124 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.641 ' HG2' HG22 ' A' ' 70' ' ' VAL . 60.7 mttp . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 109.35 -0.611 . . . . 5.7000000000000002 109.35 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 8.9 Cg_exo -71.13 -47.08 0.58 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.239 2.626 . . . . 2.0099999999999998 113.241 -169.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.704 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 42.5 m-85 -75.2 111.06 10.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.953 0.406 . . . . 2.02 111.284 -176.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.599 HG23 ' HB3' ' A' ' 68' ' ' ARG . 46.3 t -121.39 129.97 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.554 -0.748 . . . . 1.6299999999999999 110.054 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 31.6 t -68.47 108.58 3.34 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.111 -0.495 . . . . 0.38 109.818 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.23 -24.57 67.93 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.336 0.589 . . . . 2.79 109.708 178.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -85.59 -25.09 26.89 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 113.427 0.899 . . . . 3.3999999999999999 113.427 -170.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.7 p -140.16 12.58 2.41 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 118.411 -1.316 . . . . 0.37 112.683 171.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.08 -4.54 46.57 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 114.832 0.693 . . . . 0.42999999999999999 114.832 169.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.496 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 45.4 mttp -89.42 136.66 32.9 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.655 0.727 . . . . 2.5299999999999998 110.167 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.599 ' HB3' HG23 ' A' ' 61' ' ' VAL . 12.3 ptt180 -121.21 168.29 11.76 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 112.986 0.736 . . . . 3.3700000000000001 112.986 -173.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.45 ' HD2' HD23 ' A' ' 75' ' ' LEU . 55.6 m-85 -148.99 149.64 31.51 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.025 -0.989 . . . . 0.67000000000000004 109.57 -175.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.641 HG22 ' HG2' ' A' ' 58' ' ' LYS . 2.3 t -70.64 -33.32 52.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 114.855 -1.066 . . . . 1.45 109.306 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -98.06 128.71 44.75 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-N 115.028 -0.987 . . . . 2.5299999999999998 109.991 -172.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 p -57.69 -41.66 82.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.889 -0.596 . . . . 1.74 109.99 175.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.6 m -63.42 -40.03 96.09 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.357 -0.838 . . . . 1.6100000000000001 110.935 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -74.13 -33.26 63.49 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.278 -0.638 . . . . 2.3900000000000001 109.278 -175.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.704 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 1.3 tm? -71.38 -39.96 70.9 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.121 -0.696 . . . . 2.4500000000000002 109.121 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.09 -23.59 51.86 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.422 -0.511 . . . . 1.1000000000000001 110.149 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -69.37 -36.58 76.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.431 -0.952 . . . . 1.96 108.431 169.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.656 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 36.1 t60 -61.7 -39.59 92.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.849 -1.069 . . . . 0.58999999999999997 110.488 171.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.661 HG12 ' O ' ' A' ' 75' ' ' LEU . 49.7 mm -70.85 -39.39 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-O 121.072 0.463 . . . . 1.3999999999999999 110.362 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.446 ' HD3' ' HA ' ' A' ' 80' ' ' ARG . 25.6 mmt180 -63.75 -20.76 66.0 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 120.906 0.384 . . . . 4.9100000000000001 111.502 173.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -76.76 -7.36 55.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.27 0.557 . . . . 3.75 109.603 175.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.593 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 10.2 m-70 -92.18 6.19 47.58 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.633 -0.712 . . . . 1.22 110.86 176.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.6 t70 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.747 -0.644 . . . . 3.4300000000000002 109.872 -179.361 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.504 ' HG3' HG11 ' A' ' 70' ' ' VAL . 73.3 mmtt . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 109.752 -0.462 . . . . 5.7000000000000002 109.752 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -75.58 48.98 2.28 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.797 2.331 . . . . 2.0099999999999998 112.539 -178.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.539 ' HB3' HD21 ' A' ' 75' ' ' LEU . 77.1 m-85 -138.83 89.35 2.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.386 0.612 . . . . 2.02 111.266 -175.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.606 ' HA ' ' HA ' ' A' ' 68' ' ' ARG . 35.2 t -127.67 142.06 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-N 115.849 -0.614 . . . . 1.6299999999999999 109.546 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.539 ' SG ' ' HB2' ' A' ' 64' ' ' ARG . 49.3 t -73.37 91.43 1.74 Allowed 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.598 -0.89 . . . . 0.38 108.598 174.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -58.73 -20.95 53.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.393 0.616 . . . . 2.79 109.518 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.539 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 30.4 mtp180 -68.03 -40.6 82.88 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.087 -0.96 . . . . 3.3999999999999999 112.761 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.1 p -132.51 -4.84 3.32 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 118.365 -1.334 . . . . 0.37 113.101 178.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.24 -23.49 31.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.937 -0.649 . . . . 0.42999999999999999 113.716 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -69.1 120.12 14.45 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 117.547 0.674 . . . . 2.5299999999999998 111.729 -176.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.606 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 15.8 ptp180 -97.75 161.78 13.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.071 -0.513 . . . . 3.3700000000000001 111.582 -178.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.404 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 79.2 m-85 -148.28 140.92 24.5 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 115.47 -0.786 . . . . 0.67000000000000004 109.418 -177.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.504 HG11 ' HG3' ' A' ' 58' ' ' LYS . 71.6 t -77.88 -31.74 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 CA-C-N 114.983 -1.008 . . . . 1.45 110.289 -178.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.472 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 34.5 mt-30 -96.53 129.3 43.93 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 115.872 -0.604 . . . . 2.5299999999999998 109.962 -178.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.7 t -59.16 -40.48 85.73 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.292 -0.633 . . . . 1.74 109.292 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.7 t -58.91 -46.49 87.79 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.573 -0.74 . . . . 1.6100000000000001 110.348 176.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.472 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 4.9 tp-100 -69.27 -38.73 78.52 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.133 -0.691 . . . . 2.3900000000000001 109.133 -173.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 60' ' ' TYR . 52.2 tp -63.21 -57.29 10.97 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.226 -0.897 . . . . 2.4500000000000002 110.426 176.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.57 ' O ' ' HB3' ' A' ' 80' ' ' ARG . . . -54.13 -39.77 66.77 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.791 -1.095 . . . . 1.1000000000000001 110.279 177.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -55.11 -50.52 69.0 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.326 0.584 . . . . 1.96 109.575 174.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -62.98 -47.4 83.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.243 -0.889 . . . . 0.58999999999999997 110.636 -176.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' A' ' 62' ' ' CYS . 55.6 mt -76.56 -27.7 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 115.793 -0.64 . . . . 1.3999999999999999 112.159 -174.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.57 ' HB3' ' O ' ' A' ' 76' ' ' ALA . 1.1 ppt_? -63.91 -20.49 65.88 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 120.992 0.425 . . . . 4.9100000000000001 110.491 179.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -90.05 -8.16 52.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 3.75 110.269 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 2.4 m-70 -76.4 -32.92 58.82 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.551 0.691 . . . . 1.22 109.928 175.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 . . . . . 0 C--N 1.311 -1.069 0 CA-C-N 114.454 -1.248 . . . . 3.4300000000000002 110.188 -178.242 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.551 ' HE2' HG13 ' A' ' 70' ' ' VAL . 26.6 mtpp . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.283 -0.636 . . . . 5.7000000000000002 109.283 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 34.1 Cg_exo -60.5 -17.9 50.91 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.516 2.81 . . . . 2.0099999999999998 113.951 -170.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -82.8 89.58 6.82 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.905 0.859 . . . . 2.02 111.365 -177.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.632 ' HA ' ' HA ' ' A' ' 68' ' ' ARG . 6.5 p -119.91 142.84 33.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 114.74 -1.118 . . . . 1.6299999999999999 109.178 176.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.523 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 9.5 t -63.18 107.88 1.15 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.825 -0.435 . . . . 0.38 109.825 175.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -57.98 -22.29 48.64 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.516 -0.766 . . . . 2.79 111.369 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -86.1 -44.55 12.17 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 113.135 0.791 . . . . 3.3999999999999999 113.135 -174.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.5 p -129.44 6.25 5.25 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 118.576 -1.25 . . . . 0.37 112.737 -176.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.74 -6.59 83.21 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.758 -0.734 . . . . 0.42999999999999999 114.663 169.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -80.75 122.34 27.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.909 0.855 . . . . 2.5299999999999998 111.754 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.632 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 16.1 mtm180 -80.72 160.28 24.99 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.676 0.991 . . . . 3.3700000000000001 113.676 -175.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.405 ' HE1' ' ND1' ' A' ' 78' ' ' HIS . 11.4 m-85 -147.49 144.5 28.62 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 114.171 -1.377 . . . . 0.67000000000000004 109.726 176.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.551 HG13 ' HE2' ' A' ' 58' ' ' LYS . 49.1 t -76.01 -33.12 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.298 0 CA-C-N 114.345 -1.298 . . . . 1.45 110.586 -177.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -109.19 141.01 42.05 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-O 121.069 0.461 . . . . 2.5299999999999998 111.125 -176.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.5 t -64.99 -36.6 84.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.12 -0.945 . . . . 1.74 109.956 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 p -62.56 -47.34 84.29 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.485 -0.78 . . . . 1.6100000000000001 110.447 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.504 ' HA ' ' HB3' ' A' ' 77' ' ' ASN . 97.0 mt-30 -72.68 -26.7 61.71 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.058 -0.519 . . . . 2.3900000000000001 109.824 -176.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.597 ' O ' HG12 ' A' ' 79' ' ' ILE . 20.8 tp -62.42 -58.26 8.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.501 -0.772 . . . . 2.4500000000000002 110.406 174.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -67.67 -25.05 65.51 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 116.228 -0.442 . . . . 1.1000000000000001 110.34 176.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.504 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 25.6 t-20 -60.73 -43.48 97.83 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.675 -0.861 . . . . 1.96 108.675 170.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.57 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 43.7 t60 -62.34 -42.55 99.48 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.897 -1.047 . . . . 0.58999999999999997 110.567 175.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 75' ' ' LEU . 42.3 mm -67.47 -38.93 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.788 -0.642 . . . . 1.3999999999999999 110.931 -179.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 80' ' ' ARG . 12.6 mmm180 -56.69 -25.72 54.77 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 112.562 0.578 . . . . 4.9100000000000001 112.562 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -87.24 -0.99 57.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.088 0.47 . . . . 3.75 110.593 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.53 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 5.7 m-70 -85.27 -38.13 19.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.452 0.644 . . . . 1.22 110.907 177.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 C--N 1.309 -1.156 0 CA-C-N 114.894 -1.048 . . . . 3.4300000000000002 110.681 -171.78 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 109.83 -0.433 . . . . 5.7000000000000002 109.83 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -80.71 36.7 0.63 Allowed 'Trans proline' 0 CA--C 1.529 0.228 0 C-N-CA 123.083 2.522 . . . . 2.0099999999999998 113.09 -175.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 72' ' ' SER . 84.5 m-85 -139.28 88.98 2.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.598 0.713 . . . . 2.02 110.45 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.888 HG21 ' HG2' ' A' ' 68' ' ' ARG . 75.0 t -138.4 140.03 40.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.173 -0.921 . . . . 1.6299999999999999 108.971 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.479 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 26.1 t -70.98 103.47 2.68 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.658 -0.867 . . . . 0.38 108.658 173.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -7.09 46.26 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.459 0.647 . . . . 2.79 109.697 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -92.56 -23.65 18.99 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.428 -0.806 . . . . 3.3999999999999999 112.289 -174.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.4 p -138.25 -2.13 1.86 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 118.665 -1.214 . . . . 0.37 112.632 168.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.6 14.64 59.53 Favored Glycine 0 CA--C 1.517 0.214 0 N-CA-C 114.701 0.64 . . . . 0.42999999999999999 114.701 170.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.598 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 29.9 mmmt -99.95 142.86 30.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 117.876 0.838 . . . . 2.5299999999999998 111.494 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.888 ' HG2' HG21 ' A' ' 61' ' ' VAL . 96.6 mtt180 -94.92 156.79 16.19 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.732 1.012 . . . . 3.3700000000000001 113.732 -174.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.65 ' CE2' ' HB2' ' A' ' 78' ' ' HIS . 15.8 m-85 -151.74 141.72 22.1 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 114.156 -1.383 . . . . 0.67000000000000004 109.2 172.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -84.24 -32.47 8.27 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 CA-C-N 115.198 -0.91 . . . . 1.45 110.152 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.663 ' HA ' HE21 ' A' ' 71' ' ' GLN . 0.0 OUTLIER -95.12 130.79 41.69 Favored 'General case' 0 N--CA 1.426 -1.655 0 N-CA-C 109.598 -0.519 . . . . 2.5299999999999998 109.598 -178.374 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.508 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 12.9 p -62.58 -33.8 75.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.028 0.442 . . . . 1.74 110.19 178.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 p -65.91 -43.22 88.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.822 -0.626 . . . . 1.6100000000000001 110.535 176.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.522 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 13.5 mm100 -76.57 -22.39 54.35 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.005 0.431 . . . . 2.3900000000000001 110.037 -177.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.57 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 15.9 tp -64.27 -54.43 33.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.633 -0.712 . . . . 2.4500000000000002 109.683 172.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.72 -25.93 65.9 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.765 -0.652 . . . . 1.1000000000000001 110.764 175.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -64.07 -36.28 83.51 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.921 -0.77 . . . . 1.96 108.921 172.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.65 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 58.1 t60 -66.58 -41.72 88.08 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.353 -0.84 . . . . 0.58999999999999997 110.795 175.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.658 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 12.5 mm -68.04 -36.27 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.182 0.515 . . . . 1.3999999999999999 109.761 176.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -57.66 -36.26 71.65 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.727 -0.669 . . . . 4.9100000000000001 112.133 175.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -82.69 3.59 28.44 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.132 0.491 . . . . 3.75 110.715 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.658 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 3.7 m-70 -78.89 62.98 3.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.083 -0.71 . . . . 1.22 109.083 171.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 C--O 1.246 0.895 0 CA-C-N 115.08 -0.964 . . . . 3.4300000000000002 110.423 -173.468 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.672 ' HG3' HG12 ' A' ' 70' ' ' VAL . 73.1 mmtt . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 109.869 -0.419 . . . . 5.7000000000000002 109.869 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -73.9 9.89 1.54 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.032 2.488 . . . . 2.0099999999999998 112.573 -178.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -101.17 88.52 3.52 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.798 -0.637 . . . . 2.02 110.442 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.625 ' HA ' ' HA ' ' A' ' 68' ' ' ARG . 23.6 t -126.85 142.89 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-N 116.187 -0.461 . . . . 1.6299999999999999 109.771 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.958 ' HA ' HD11 ' A' ' 79' ' ' ILE . 48.4 t -70.32 99.6 1.58 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.327 -0.619 . . . . 0.38 109.327 176.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -58.45 -16.4 14.89 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.351 0.596 . . . . 2.79 110.776 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -95.8 -22.29 17.58 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 113.566 0.95 . . . . 3.3999999999999999 113.566 -173.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.8 p -139.94 3.23 2.0 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 118.219 -1.393 . . . . 0.37 112.776 172.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.4 -14.69 61.9 Favored Glycine 0 C--O 1.227 -0.332 0 C-N-CA 120.967 -0.635 . . . . 0.42999999999999999 113.97 172.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -81.11 130.0 34.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.397 0.599 . . . . 2.5299999999999998 111.057 -177.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.625 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 13.5 ptt180 -104.02 170.91 7.64 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.172 0.805 . . . . 3.3700000000000001 113.172 -170.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.42 ' HE1' ' ND1' ' A' ' 78' ' ' HIS . 30.0 m-85 -143.92 177.96 8.18 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.411 -1.268 . . . . 0.67000000000000004 108.888 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.672 HG12 ' HG3' ' A' ' 58' ' ' LYS . 14.8 t -112.06 -19.03 7.17 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 N-CA-C 108.311 -0.996 . . . . 1.45 108.311 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.615 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 30.1 mt-30 -112.1 129.01 56.37 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 114.203 -1.362 . . . . 2.5299999999999998 109.692 -167.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 t -58.37 -46.74 85.75 Favored 'General case' 0 CA--C 1.516 -0.344 0 O-C-N 123.501 0.5 . . . . 1.74 109.98 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.5 p -57.02 -46.52 82.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.337 -0.847 . . . . 1.6100000000000001 110.683 177.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.615 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 16.1 mm100 -71.45 -36.96 71.41 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.513 -0.551 . . . . 2.3900000000000001 109.513 -172.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.9 tp -63.14 -57.02 11.94 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.415 -0.811 . . . . 2.4500000000000002 110.664 176.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.15 -38.78 74.03 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.231 -0.895 . . . . 1.1000000000000001 110.281 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -58.7 -46.43 87.33 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.465 0.65 . . . . 1.96 109.444 175.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.42 ' ND1' ' HE1' ' A' ' 69' ' ' PHE . 48.0 t60 -61.2 -47.31 86.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.831 -1.077 . . . . 0.58999999999999997 110.984 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.958 HD11 ' HA ' ' A' ' 62' ' ' CYS . 70.4 mt -80.06 -22.66 11.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.701 -0.681 . . . . 1.3999999999999999 112.135 -175.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -58.73 -24.61 61.84 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 120.949 0.404 . . . . 4.9100000000000001 111.362 171.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -88.52 8.78 26.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.181 0.515 . . . . 3.75 110.526 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -114.99 1.0 13.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.977 -0.556 . . . . 1.22 110.65 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.1 t70 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.375 -0.822 . . . . 3.4300000000000002 110.194 -175.044 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.473 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 73.5 mmtt . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 109.273 -0.64 . . . . 5.7000000000000002 109.273 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 8.0 Cg_exo -72.63 -3.99 14.5 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.964 2.443 . . . . 2.0099999999999998 113.015 -175.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.825 ' HH ' ' HG ' ' A' ' 72' ' ' SER . 87.5 m-85 -125.71 96.81 4.91 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.994 0.426 . . . . 2.02 111.14 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.604 HG22 ' HB3' ' A' ' 68' ' ' ARG . 24.3 t -127.02 138.01 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.699 0 N-CA-C 109.851 -0.426 . . . . 1.6299999999999999 109.851 175.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.421 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 41.4 t -71.81 102.94 2.98 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.846 -0.616 . . . . 0.38 109.906 177.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.1 -15.75 57.7 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.321 0.581 . . . . 2.79 110.167 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.411 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 53.5 mtt180 -87.11 -30.45 21.09 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.619 -0.718 . . . . 3.3999999999999999 112.417 -172.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.2 p -137.98 2.17 2.33 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 118.668 -1.213 . . . . 0.37 112.99 173.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.45 5.99 81.43 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 114.75 0.66 . . . . 0.42999999999999999 114.75 170.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.544 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 30.0 mmmt -96.81 143.56 27.61 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.899 0.849 . . . . 2.5299999999999998 109.858 177.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.604 ' HB3' HG22 ' A' ' 61' ' ' VAL . 13.1 ptt-85 -118.11 167.21 11.69 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 113.072 0.767 . . . . 3.3700000000000001 113.072 -171.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.567 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 14.7 m-85 -148.64 151.05 34.32 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.63 -1.168 . . . . 0.67000000000000004 109.538 -177.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 81.6 t -85.51 -30.93 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.255 0 CA-C-N 115.056 -0.975 . . . . 1.45 110.325 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.437 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 37.0 mt-30 -99.23 136.85 38.57 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 116.182 -0.463 . . . . 2.5299999999999998 111.303 -174.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.825 ' HG ' ' HH ' ' A' ' 60' ' ' TYR . 4.0 m -52.65 -51.32 60.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.759 -0.655 . . . . 1.74 110.731 178.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.1 m -61.48 -38.86 88.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.47 -0.786 . . . . 1.6100000000000001 111.258 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.505 ' HB3' ' CD1' ' A' ' 69' ' ' PHE . 22.1 mm-40 -71.47 -29.08 64.43 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.45 -0.341 . . . . 2.3900000000000001 110.661 -172.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.568 ' O ' HG12 ' A' ' 79' ' ' ILE . 34.0 tp -65.41 -55.86 15.74 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.22 -0.445 . . . . 2.4500000000000002 110.33 176.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.54 -23.96 65.49 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 116.038 -0.528 . . . . 1.1000000000000001 110.434 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.441 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 8.7 t30 -61.93 -40.76 96.6 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.051 -0.722 . . . . 1.96 109.051 169.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.558 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 49.0 t60 -66.19 -42.08 89.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.066 -0.97 . . . . 0.58999999999999997 110.525 175.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.568 HG12 ' O ' ' A' ' 75' ' ' LEU . 31.7 mm -67.13 -32.44 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 1.3999999999999999 110.697 178.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -57.4 -26.4 61.04 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 112.518 0.562 . . . . 4.9100000000000001 112.518 178.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -86.87 5.16 38.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.344 0.593 . . . . 3.75 110.3 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.539 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 7.9 m-70 -91.4 58.15 3.53 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.696 -0.853 . . . . 1.22 108.696 171.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 C--O 1.249 1.036 0 CA-C-N 114.484 -1.235 . . . . 3.4300000000000002 110.798 -176.068 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.1 mttt . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 110.021 -0.363 . . . . 5.7000000000000002 110.021 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -84.79 -42.16 0.07 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.824 2.349 . . . . 2.0099999999999998 112.945 -178.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 1.1 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 67.2 m-85 -88.15 108.68 19.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.044 0.449 . . . . 2.02 111.679 -173.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.562 HG11 ' HB3' ' A' ' 68' ' ' ARG . 23.2 t -125.64 148.54 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 CA-C-N 115.62 -0.718 . . . . 1.6299999999999999 110.084 177.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 52.9 t -81.01 105.51 12.29 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.684 -0.689 . . . . 0.38 109.7 175.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.84 -22.64 64.42 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.404 0.621 . . . . 2.79 109.928 176.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -84.23 -28.27 27.38 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.177 -0.919 . . . . 3.3999999999999999 113.111 -171.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.1 p -137.88 -2.28 1.92 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 118.546 -1.262 . . . . 0.37 112.438 174.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.77 -17.47 59.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.42999999999999999 113.805 174.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -78.27 141.37 38.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 117.463 0.632 . . . . 2.5299999999999998 111.031 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.562 ' HB3' HG11 ' A' ' 61' ' ' VAL . 8.4 ptp85 -119.37 163.31 17.38 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.108 0.48 . . . . 3.3700000000000001 112.106 -172.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.509 ' HE2' ' HD1' ' A' ' 78' ' ' HIS . 5.6 m-85 -141.32 146.27 36.5 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 122.114 0.959 . . . . 0.67000000000000004 111.334 -173.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.1 t -72.39 -38.12 59.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 113.546 -1.661 . . . . 1.45 110.18 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -101.32 129.17 47.25 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-N 115.419 -0.81 . . . . 2.5299999999999998 109.571 -170.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.3 p -55.26 -43.41 74.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.806 0.691 . . . . 1.74 110.61 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.7 p -65.71 -42.0 91.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.432 -0.803 . . . . 1.6100000000000001 111.426 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -75.33 -28.65 59.71 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.406 -0.961 . . . . 2.3900000000000001 108.406 -175.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 1.1 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 2.6 tm? -69.18 -49.23 58.55 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.01 -0.996 . . . . 2.4500000000000002 109.337 176.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.49 83.71 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.591 -0.731 . . . . 1.1000000000000001 110.265 172.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -58.69 -41.38 86.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.295 0.569 . . . . 1.96 109.869 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.52 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 23.6 t60 -59.37 -56.1 26.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.111 -0.95 . . . . 0.58999999999999997 111.158 178.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 79' ' ' ILE . 2.1 mp -66.85 -30.46 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.439 -0.346 . . . . 1.3999999999999999 111.772 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -56.28 -26.33 51.48 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 111.756 0.28 . . . . 4.9100000000000001 111.756 172.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -80.88 -7.03 59.36 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.253 0.549 . . . . 3.75 110.406 178.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -93.2 18.5 9.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 1.22 110.955 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 26.6 t70 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.891 -0.576 . . . . 3.4300000000000002 109.566 176.106 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.464 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 48.7 mmtm . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.785 0.326 . . . . 5.7000000000000002 110.604 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 4.0 Cg_endo -85.65 20.14 1.28 Allowed 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 123.312 2.675 . . . . 2.0099999999999998 112.463 -177.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.426 ' CE2' ' HA ' ' A' ' 72' ' ' SER . 19.6 m-85 -85.4 90.59 7.98 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.445 0.641 . . . . 2.02 111.101 -178.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.924 HG22 ' HG2' ' A' ' 68' ' ' ARG . 64.0 t -117.93 137.14 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 115.289 -0.869 . . . . 1.6299999999999999 110.407 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.676 ' SG ' ' HB2' ' A' ' 64' ' ' ARG . 42.8 t -74.53 94.01 2.56 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 107.938 -1.134 . . . . 0.38 107.938 170.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -63.76 -14.09 49.56 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.308 0.575 . . . . 2.79 109.775 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.676 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 17.3 mtp180 -67.98 -54.01 21.74 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.343 -0.844 . . . . 3.3999999999999999 111.815 175.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.2 p -121.05 1.82 10.39 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 118.802 -1.159 . . . . 0.37 112.841 -176.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.4 11.96 79.39 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 120.916 -0.659 . . . . 0.42999999999999999 114.119 173.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -95.82 134.16 39.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 117.754 0.777 . . . . 2.5299999999999998 111.282 177.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.924 ' HG2' HG22 ' A' ' 61' ' ' VAL . 53.3 mtm-85 -97.31 157.54 15.92 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 113.151 0.797 . . . . 3.3700000000000001 113.151 -177.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 78' ' ' HIS . 12.5 m-85 -144.43 137.77 27.23 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.362 -1.29 . . . . 0.67000000000000004 109.769 176.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.5 t -82.29 -30.17 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 CA-C-N 114.376 -1.284 . . . . 1.45 110.921 -175.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.437 ' HB2' ' CG ' ' A' ' 74' ' ' GLN . 45.8 mt-30 -98.39 129.09 45.04 Favored 'General case' 0 N--CA 1.423 -1.799 0 O-C-N 122.27 -0.269 . . . . 2.5299999999999998 110.297 -174.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.426 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 31.7 m -50.34 -52.51 36.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.479 0.487 . . . . 1.74 111.69 -170.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.0 m -68.42 -25.33 64.97 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.77 -0.65 . . . . 1.6100000000000001 111.624 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.437 ' CG ' ' HB2' ' A' ' 71' ' ' GLN . 13.6 mm100 -78.13 -21.53 50.21 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 120.746 -0.382 . . . . 2.3900000000000001 110.568 -173.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.4 tp -65.9 -53.9 33.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.404 0.621 . . . . 2.4500000000000002 109.646 172.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.52 -36.26 75.76 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.159 -0.928 . . . . 1.1000000000000001 110.17 173.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -59.25 -45.77 90.27 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.484 -0.561 . . . . 1.96 109.484 175.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 69' ' ' PHE . 69.6 t60 -58.15 -51.45 69.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.827 -0.624 . . . . 0.58999999999999997 111.049 178.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.613 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 31.7 mt -72.97 -27.28 24.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.297 -0.41 . . . . 1.3999999999999999 111.844 -176.281 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -72.34 1.85 7.12 Favored 'General case' 0 N--CA 1.446 -0.649 0 O-C-N 121.922 -0.486 . . . . 4.9100000000000001 111.652 171.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 78' ' ' HIS . 38.9 m80 -98.41 -2.41 39.18 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.777 -0.453 . . . . 3.75 109.777 169.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.613 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.0 OUTLIER -82.77 -4.55 58.11 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.978 -0.555 . . . . 1.22 111.785 -175.524 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 . . . . . 0 C--O 1.247 0.924 0 N-CA-C 109.635 -0.506 . . . . 3.4300000000000002 109.635 173.44 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.692 ' HB3' ' HD1' ' A' ' 60' ' ' TYR . 41.8 mttm . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.763 0.316 . . . . 5.7000000000000002 111.002 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 1.9 Cg_endo -84.24 46.82 2.06 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 123.073 2.516 . . . . 2.0099999999999998 112.037 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.692 ' HD1' ' HB3' ' A' ' 58' ' ' LYS . 22.7 m-85 -108.47 88.36 2.71 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.568 -0.53 . . . . 2.02 109.568 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.617 HG22 ' HB3' ' A' ' 68' ' ' ARG . 22.2 t -122.7 142.83 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-O 121.046 0.451 . . . . 1.6299999999999999 110.464 -178.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.565 ' HA ' HD13 ' A' ' 79' ' ' ILE . 51.3 t -74.78 109.31 8.15 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.741 -0.663 . . . . 0.38 109.479 176.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.59 -22.95 64.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.078 -0.51 . . . . 2.79 110.981 178.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.513 ' HB2' ' CD2' ' A' ' 82' ' ' HIS . 78.1 mtt180 -87.58 -31.93 19.61 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 113.394 0.887 . . . . 3.3999999999999999 113.394 -171.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.4 p -132.9 -1.95 3.3 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 118.103 -1.439 . . . . 0.37 112.759 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.45 -11.3 72.43 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.524 -0.846 . . . . 0.42999999999999999 114.192 173.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -82.04 141.22 33.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.385 0.592 . . . . 2.5299999999999998 110.776 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.617 ' HB3' HG22 ' A' ' 61' ' ' VAL . 23.2 ptt180 -121.4 168.41 11.71 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.593 0.59 . . . . 3.3700000000000001 112.593 -173.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.43 ' CE2' ' HG3' ' A' ' 74' ' ' GLN . 75.7 m-85 -146.02 178.13 8.44 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 114.994 -1.003 . . . . 0.67000000000000004 109.58 -173.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.496 HG12 ' HD2' ' A' ' 58' ' ' LYS . 2.9 t -115.47 -23.7 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.236 0 N-CA-C 108.265 -1.013 . . . . 1.45 108.265 178.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.657 ' HB2' ' HB3' ' A' ' 74' ' ' GLN . 61.6 mt-30 -97.43 128.05 43.89 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 114.7 -1.136 . . . . 2.5299999999999998 109.444 -175.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.8 t -62.87 -42.75 99.88 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.49 -0.559 . . . . 1.74 109.49 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.4 t -63.2 -42.09 99.26 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.538 -0.756 . . . . 1.6100000000000001 109.917 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.657 ' HB3' ' HB2' ' A' ' 71' ' ' GLN . 6.5 tp-100 -72.78 -32.64 65.74 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.988 -0.745 . . . . 2.3900000000000001 108.988 -173.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.512 HD23 ' HB3' ' A' ' 60' ' ' TYR . 39.5 tp -64.14 -57.25 10.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.856 -1.066 . . . . 2.4500000000000002 110.145 176.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.497 ' O ' ' HG3' ' A' ' 80' ' ' ARG . . . -58.23 -37.81 75.59 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.365 -0.834 . . . . 1.1000000000000001 110.453 174.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -58.74 -45.26 90.07 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.674 -0.491 . . . . 1.96 109.674 175.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.436 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 73.8 t60 -58.39 -53.44 58.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.638 -0.71 . . . . 0.58999999999999997 110.848 178.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.565 HD13 ' HA ' ' A' ' 62' ' ' CYS . 38.8 mt -73.84 -23.72 19.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.451 -0.795 . . . . 1.3999999999999999 112.327 -175.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 16.3 mtm180 -55.51 -29.65 59.23 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.92 0.391 . . . . 4.9100000000000001 111.723 173.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -91.57 22.09 4.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.699 0.762 . . . . 3.75 110.271 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.513 ' CD2' ' HB2' ' A' ' 64' ' ' ARG . 1.6 m-70 -104.83 13.51 31.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.483 0.659 . . . . 1.22 109.826 172.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.6 t70 . . . . . 0 C--O 1.247 0.973 0 CA-C-N 114.877 -1.056 . . . . 3.4300000000000002 109.217 174.385 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.427 ' HG2' ' OG ' ' A' ' 72' ' ' SER . 13.2 tptt . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 109.988 -0.375 . . . . 5.7000000000000002 109.988 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 2.9 Cg_endo -83.94 63.04 7.06 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 123.325 2.683 . . . . 2.0099999999999998 112.079 -176.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.565 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 5.2 m-85 -110.81 107.51 17.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.619 -0.719 . . . . 2.02 111.266 -178.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.496 HG21 ' HB3' ' A' ' 68' ' ' ARG . 54.7 t -113.77 136.79 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 115.343 -0.844 . . . . 1.6299999999999999 110.169 177.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.526 ' SG ' ' HB2' ' A' ' 64' ' ' ARG . 14.6 t -73.15 98.83 2.67 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.406 -0.961 . . . . 0.38 108.406 171.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.2 -17.91 65.02 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.478 -0.564 . . . . 2.79 109.478 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.526 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 51.2 mtp180 -70.51 -42.09 71.75 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.451 -0.795 . . . . 3.3999999999999999 111.489 -177.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.2 p -133.8 4.42 3.57 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 118.985 -1.086 . . . . 0.37 112.688 177.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.33 -11.33 72.38 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 114.624 0.61 . . . . 0.42999999999999999 114.624 170.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -88.52 122.91 32.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.713 0.757 . . . . 2.5299999999999998 110.898 -176.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.496 ' HB3' HG21 ' A' ' 61' ' ' VAL . 21.2 ptt180 -107.22 168.65 9.07 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 112.558 0.577 . . . . 3.3700000000000001 112.558 -174.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.53 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 37.7 m-85 -140.72 143.37 34.97 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 115.052 -0.976 . . . . 0.67000000000000004 109.75 -178.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.2 t -68.65 -27.22 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 CA-C-N 114.326 -1.306 . . . . 1.45 110.604 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.403 HE21 ' HB3' ' A' ' 71' ' ' GLN . 4.7 mt-30 -108.29 130.69 55.17 Favored 'General case' 0 N--CA 1.429 -1.525 0 CA-C-O 120.92 0.391 . . . . 2.5299999999999998 110.38 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.427 ' OG ' ' HG2' ' A' ' 58' ' ' LYS . 5.1 m -56.41 -39.64 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.567 -0.742 . . . . 1.74 110.603 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.0 t -59.58 -43.75 93.53 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.674 -0.694 . . . . 1.6100000000000001 110.501 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -75.48 -32.35 60.54 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.536 -0.302 . . . . 2.3900000000000001 110.362 -174.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.723 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 2.2 tm? -71.17 -38.9 72.14 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.313 -0.625 . . . . 2.4500000000000002 109.313 177.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' A' ' 80' ' ' ARG . . . -75.68 -29.97 59.22 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.094 -0.643 . . . . 1.1000000000000001 109.939 176.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -62.24 -37.79 86.77 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.368 -0.975 . . . . 1.96 108.368 170.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.723 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 50.7 t60 -58.86 -49.25 78.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.725 -1.125 . . . . 0.58999999999999997 110.451 173.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 75' ' ' LEU . 33.1 mm -63.76 -39.87 86.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.904 -0.589 . . . . 1.3999999999999999 110.799 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 88.1 mtt180 -55.26 -31.26 61.4 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 113.137 0.791 . . . . 4.9100000000000001 113.137 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.454 ' NE2' ' HA ' ' A' ' 78' ' ' HIS . 30.4 p80 -99.44 29.77 3.86 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.444 0.64 . . . . 3.75 111.121 176.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.8 m-70 -100.1 20.1 15.14 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.102 -0.703 . . . . 1.22 109.102 168.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.2 t70 . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.343 -0.844 . . . . 3.4300000000000002 110.565 -175.544 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 54.6 mtpt . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 109.724 -0.473 . . . . 5.7000000000000002 109.724 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 11.5 Cg_exo -70.14 -19.91 33.74 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.263 2.642 . . . . 2.0099999999999998 113.727 -168.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.511 ' HB3' HD22 ' A' ' 75' ' ' LEU . 97.5 m-85 -127.79 105.7 8.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.33 0.586 . . . . 2.02 111.327 -174.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.811 HG23 ' HG2' ' A' ' 68' ' ' ARG . 95.3 t -128.83 134.58 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 CA-C-N 115.563 -0.744 . . . . 1.6299999999999999 110.864 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.672 ' HA ' HD12 ' A' ' 79' ' ' ILE . 50.1 t -71.93 93.54 1.36 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.709 -0.849 . . . . 0.38 108.709 173.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.94 -19.4 17.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.079 0.466 . . . . 2.79 110.481 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.46 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 28.2 mtp180 -74.29 -44.63 51.95 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.665 -0.698 . . . . 3.3999999999999999 112.531 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.525 ' SG ' ' HG2' ' A' ' 67' ' ' LYS . 18.1 p -123.45 -17.62 6.46 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 118.205 -1.398 . . . . 0.37 112.671 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.6 1.77 43.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.545 -0.836 . . . . 0.42999999999999999 113.85 176.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.525 ' HG2' ' SG ' ' A' ' 65' ' ' CYS . 29.1 mmmt -84.33 138.96 32.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 117.587 0.693 . . . . 2.5299999999999998 110.523 178.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.811 ' HG2' HG23 ' A' ' 61' ' ' VAL . 75.8 mtt85 -107.66 158.18 17.48 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 113.83 1.048 . . . . 3.3700000000000001 113.83 -171.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -146.15 168.7 20.36 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.009 -1.451 . . . . 0.67000000000000004 109.228 178.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 t -114.64 -24.6 3.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 N-CA-C 108.178 -1.045 . . . . 1.45 108.178 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.58 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 69.8 mm-40 -93.44 128.41 39.51 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-N 114.686 -1.143 . . . . 2.5299999999999998 109.756 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.7 t -59.8 -41.47 91.28 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.999 -0.741 . . . . 1.74 108.999 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.8 t -59.85 -46.46 89.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.084 -0.962 . . . . 1.6100000000000001 110.472 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.58 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 85.4 mt-30 -72.64 -32.42 65.87 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 110.242 -0.281 . . . . 2.3900000000000001 110.242 -173.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.511 HD22 ' HB3' ' A' ' 60' ' ' TYR . 31.5 tp -62.72 -57.4 11.1 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.101 -0.5 . . . . 2.4500000000000002 110.115 175.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.16 -38.46 73.59 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.361 -0.836 . . . . 1.1000000000000001 110.23 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -59.29 -45.13 92.08 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.526 -0.546 . . . . 1.96 109.526 175.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -60.95 -46.88 88.95 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.393 -0.821 . . . . 0.58999999999999997 111.326 -178.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.672 HD12 ' HA ' ' A' ' 62' ' ' CYS . 59.6 mt -80.68 -23.04 11.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.965 -0.561 . . . . 1.3999999999999999 111.794 -175.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -69.99 0.17 6.44 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 122.052 -0.405 . . . . 4.9100000000000001 111.447 171.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -112.83 22.68 14.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.087 0.47 . . . . 3.75 109.852 172.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 0.9 OUTLIER -107.45 64.42 0.63 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.837 -0.619 . . . . 1.22 111.11 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.255 -0.878 . . . . 3.4300000000000002 109.556 176.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 109.835 -0.431 . . . . 5.7000000000000002 109.835 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -73.0 6.78 2.33 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.26 2.64 . . . . 2.0099999999999998 113.209 -175.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -111.0 87.4 2.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.048 0.451 . . . . 2.02 110.904 -177.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.552 HG13 ' HB3' ' A' ' 68' ' ' ARG . 30.4 t -140.66 144.51 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 115.706 -0.679 . . . . 1.6299999999999999 109.461 176.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.5 ' SG ' ' HB2' ' A' ' 64' ' ' ARG . 42.3 t -77.41 107.82 10.11 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.081 -0.509 . . . . 0.38 110.087 177.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.23 -19.04 65.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.396 0.617 . . . . 2.79 109.909 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.5 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 18.2 mtp180 -79.36 -35.64 40.57 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 113.067 0.766 . . . . 3.3999999999999999 113.067 -176.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.5 p -140.1 3.96 2.02 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 118.302 -1.359 . . . . 0.37 113.171 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.53 -22.27 36.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.446 -0.883 . . . . 0.42999999999999999 113.79 174.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -66.87 125.6 26.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 117.489 0.644 . . . . 2.5299999999999998 111.396 -177.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.552 ' HB3' HG13 ' A' ' 61' ' ' VAL . 14.8 ptp180 -105.33 164.99 11.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.016 -0.538 . . . . 3.3700000000000001 111.143 -176.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -144.6 149.65 36.14 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 121.377 0.608 . . . . 0.67000000000000004 110.131 -173.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.0 t -77.21 -36.99 25.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 CA-C-N 114.961 -1.018 . . . . 1.45 109.672 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -102.23 140.58 36.32 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 115.718 -0.674 . . . . 2.5299999999999998 110.862 -170.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.8 p -63.25 -39.45 94.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.584 -0.734 . . . . 1.74 110.153 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.2 t -61.4 -48.29 81.91 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.728 -0.669 . . . . 1.6100000000000001 110.287 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -64.74 -38.84 92.34 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 109.1 -0.704 . . . . 2.3900000000000001 109.1 -176.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 63.2 tp -61.84 -60.54 3.5 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.187 -0.915 . . . . 2.4500000000000002 110.54 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.4 -43.66 68.08 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.424 -0.807 . . . . 1.1000000000000001 110.399 176.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -59.63 -42.39 92.6 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.451 -0.574 . . . . 1.96 109.451 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -62.09 -53.06 60.73 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.36 -0.836 . . . . 0.58999999999999997 111.205 -177.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.494 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 2.1 mp -69.76 -33.01 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 116.412 -0.358 . . . . 1.3999999999999999 111.134 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -62.21 -24.44 67.22 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.967 0.413 . . . . 4.9100000000000001 111.112 174.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -83.47 -4.61 58.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.908 -0.587 . . . . 3.75 110.419 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.494 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 5.0 m-70 -84.94 72.12 10.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.034 0.445 . . . . 1.22 111.587 -178.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.1 t70 . . . . . 0 C--O 1.244 0.772 0 CA-C-O 118.516 -0.754 . . . . 3.4300000000000002 109.895 171.94 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 96.9 mttt . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.061 0.458 . . . . 5.7000000000000002 109.922 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 13.9 Cg_exo -71.42 -18.68 29.52 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.508 2.805 . . . . 2.0099999999999998 113.794 -173.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.469 ' HB2' ' O ' ' A' ' 69' ' ' PHE . 75.8 m-85 -86.81 89.31 7.92 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.681 0.753 . . . . 2.02 111.741 -173.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.622 HG22 ' HB3' ' A' ' 68' ' ' ARG . 38.4 t -128.01 139.96 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 CA-C-N 115.323 -0.853 . . . . 1.6299999999999999 109.812 177.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.418 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 52.4 t -72.0 101.1 2.62 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.775 -0.824 . . . . 0.38 108.775 175.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -59.81 -16.58 29.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.224 0.535 . . . . 2.79 110.607 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -87.56 -35.72 17.96 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 115.83 -0.623 . . . . 3.3999999999999999 112.541 -173.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.1 p -129.85 4.11 4.94 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 118.404 -1.318 . . . . 0.37 112.101 177.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.5 -15.13 57.84 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 120.907 -0.663 . . . . 0.42999999999999999 113.909 172.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -78.57 133.92 37.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.432 0.616 . . . . 2.5299999999999998 110.853 -177.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.622 ' HB3' HG22 ' A' ' 61' ' ' VAL . 16.8 ptt180 -113.73 168.97 9.33 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.481 0.658 . . . . 3.3700000000000001 112.493 -173.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.469 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 15.1 m-85 -147.48 153.4 39.49 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 114.489 -1.232 . . . . 0.67000000000000004 109.017 -177.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.2 -33.57 6.59 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 CA-C-N 115.35 -0.841 . . . . 1.45 109.17 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.529 ' NE2' ' HG3' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -89.59 127.46 35.9 Favored 'General case' 0 N--CA 1.414 -2.23 0 CA-C-N 115.619 -0.719 . . . . 2.5299999999999998 109.414 -177.03 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.9 t -63.77 -36.67 84.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.73 -0.668 . . . . 1.74 109.815 -178.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.0 t -65.94 -39.0 90.08 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.338 -0.846 . . . . 1.6100000000000001 110.072 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.529 ' HG3' ' NE2' ' A' ' 71' ' ' GLN . 85.3 mm-40 -78.95 -23.28 44.69 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.011 0.434 . . . . 2.3900000000000001 109.906 -174.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.442 HD21 ' HB3' ' A' ' 60' ' ' TYR . 24.0 tp -63.9 -54.13 39.58 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.588 -0.733 . . . . 2.4500000000000002 109.953 172.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.53 86.86 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.066 -0.97 . . . . 1.1000000000000001 109.94 173.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.43 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 47.0 t30 -56.67 -45.18 81.86 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.545 -0.539 . . . . 1.96 109.545 175.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.423 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 79.5 t60 -57.97 -53.05 62.66 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.623 -0.717 . . . . 0.58999999999999997 110.979 178.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.498 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 47.0 mt -76.48 -22.94 15.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.882 -0.599 . . . . 1.3999999999999999 112.02 -174.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.456 ' HA ' ' NE ' ' A' ' 80' ' ' ARG . 1.4 mmp_? -63.07 -17.96 62.84 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 121.927 -0.483 . . . . 4.9100000000000001 111.402 172.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -99.18 18.96 16.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.186 0.517 . . . . 3.75 110.524 177.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.498 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 0.5 OUTLIER -98.52 75.16 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.801 -0.636 . . . . 1.22 110.522 175.76 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 C--O 1.246 0.897 0 CA-C-N 115.869 -0.605 . . . . 3.4300000000000002 110.039 174.616 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 110.148 -0.316 . . . . 5.7000000000000002 110.148 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -78.19 33.72 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.579 2.852 . . . . 2.0099999999999998 112.775 -178.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.517 ' HB3' HD22 ' A' ' 75' ' ' LEU . 41.0 m-85 -103.55 95.94 6.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.043 -0.526 . . . . 2.02 110.248 -178.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.668 ' HB ' ' HG2' ' A' ' 68' ' ' ARG . 7.6 p -123.15 139.97 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 CA-C-N 115.862 -0.608 . . . . 1.6299999999999999 110.096 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.7 ' SG ' HG12 ' A' ' 79' ' ' ILE . 33.7 t -71.73 95.57 1.5 Allowed 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.556 -0.905 . . . . 0.38 108.556 173.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.35 -10.1 10.21 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.067 0.461 . . . . 2.79 110.924 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.591 ' HD3' HG21 ' A' ' 79' ' ' ILE . 29.6 mtp180 -81.44 -35.06 31.07 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.996 -0.547 . . . . 3.3999999999999999 112.465 177.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 23.4 p -129.96 -4.07 4.55 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 118.741 -1.184 . . . . 0.37 112.981 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.05 -8.79 77.58 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.794 -0.717 . . . . 0.42999999999999999 113.762 175.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -88.49 130.08 35.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 117.415 0.607 . . . . 2.5299999999999998 111.364 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.668 ' HG2' ' HB ' ' A' ' 61' ' ' VAL . 21.2 mtm180 -91.45 163.42 14.18 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 113.679 0.992 . . . . 3.3700000000000001 113.679 -175.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.511 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 15.2 m-85 -143.09 147.26 34.73 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 113.842 -1.526 . . . . 0.67000000000000004 108.856 177.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.9 t -84.38 -32.5 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 CA-C-N 114.975 -1.011 . . . . 1.45 110.256 -176.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.508 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 47.9 mt-30 -97.63 131.63 44.02 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 116.226 -0.443 . . . . 2.5299999999999998 110.23 -176.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 38.1 t -58.13 -42.46 85.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.194 0.521 . . . . 1.74 109.739 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 m -60.37 -46.04 91.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.305 -0.862 . . . . 1.6100000000000001 110.575 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.508 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 29.9 mm-40 -75.66 -25.77 57.11 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.476 -0.329 . . . . 2.3900000000000001 110.293 -174.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.517 HD22 ' HB3' ' A' ' 60' ' ' TYR . 34.3 tp -63.2 -57.22 11.24 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.285 0.564 . . . . 2.4500000000000002 110.008 173.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.59 -38.82 75.53 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.15 -0.932 . . . . 1.1000000000000001 109.914 174.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -56.87 -46.82 81.58 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.482 -0.562 . . . . 1.96 109.482 175.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -60.31 -52.29 65.88 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.157 -0.929 . . . . 0.58999999999999997 110.796 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.7 HG12 ' SG ' ' A' ' 62' ' ' CYS . 15.1 mt -71.29 -27.79 30.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.195 -0.457 . . . . 1.3999999999999999 111.817 -176.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -62.85 -20.57 65.22 Favored 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 122.072 -0.393 . . . . 4.9100000000000001 111.101 172.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -86.85 2.97 47.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.085 0.469 . . . . 3.75 110.575 177.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.481 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.7 m-70 -89.55 12.6 16.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.366 0.603 . . . . 1.22 110.237 175.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 C--O 1.249 1.034 0 CA-C-N 115.458 -0.792 . . . . 3.4300000000000002 109.624 177.068 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 120.797 0.332 . . . . 5.7000000000000002 110.872 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -84.19 -4.06 10.3 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.14 2.56 . . . . 2.0099999999999998 110.977 175.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.54 ' HB3' HD23 ' A' ' 75' ' ' LEU . 87.4 m-85 -99.31 110.78 23.26 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.339 -0.846 . . . . 2.02 110.744 -177.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.674 ' HB ' ' HG2' ' A' ' 68' ' ' ARG . 7.5 p -128.72 142.74 43.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.364 -0.834 . . . . 1.6299999999999999 109.761 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.853 ' HA ' HD11 ' A' ' 79' ' ' ILE . 39.3 t -68.72 104.04 1.9 Allowed 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.328 -0.619 . . . . 0.38 109.328 175.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -48.88 -31.68 7.63 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 123.923 0.764 . . . . 2.79 111.478 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.407 ' HB2' ' CD2' ' A' ' 82' ' ' HIS . 82.0 mtt180 -82.36 -47.86 11.82 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 113.048 0.759 . . . . 3.3999999999999999 113.048 -174.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.6 p -114.76 -4.49 12.7 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 118.754 -1.178 . . . . 0.37 112.093 -173.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.69 -1.53 85.55 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.852 -0.689 . . . . 0.42999999999999999 113.968 173.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -82.7 120.45 25.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.649 0.724 . . . . 2.5299999999999998 111.538 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.674 ' HG2' ' HB ' ' A' ' 61' ' ' VAL . 75.0 mtm180 -79.67 158.41 27.01 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.842 -0.617 . . . . 3.3700000000000001 112.596 178.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -141.78 147.81 37.9 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 114.708 -1.133 . . . . 0.67000000000000004 110.137 -177.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.1 t -81.14 -33.52 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 CA-C-N 114.006 -1.452 . . . . 1.45 110.153 -178.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.594 ' HB2' ' CB ' ' A' ' 74' ' ' GLN . 16.5 mm-40 -97.19 128.2 43.86 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-N 115.846 -0.615 . . . . 2.5299999999999998 110.003 -175.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.9 m -59.63 -44.67 93.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.805 -0.634 . . . . 1.74 109.722 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.3 t -66.94 -36.51 82.39 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.336 -0.847 . . . . 1.6100000000000001 110.38 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.594 ' CB ' ' HB2' ' A' ' 71' ' ' GLN . 6.0 tp-100 -74.77 -29.55 61.16 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.101 -0.703 . . . . 2.3900000000000001 109.101 -174.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.54 HD23 ' HB3' ' A' ' 60' ' ' TYR . 25.0 tp -60.97 -59.74 4.89 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.698 -0.683 . . . . 2.4500000000000002 110.238 173.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.64 -39.46 70.89 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.026 -0.988 . . . . 1.1000000000000001 110.166 176.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -62.14 -43.35 99.03 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.311 -0.626 . . . . 1.96 109.311 177.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.428 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 71.6 t60 -58.78 -51.2 70.98 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.429 -0.805 . . . . 0.58999999999999997 110.39 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.853 HD11 ' HA ' ' A' ' 62' ' ' CYS . 10.6 mt -71.36 -33.29 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.127 -0.488 . . . . 1.3999999999999999 111.737 -177.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -62.21 -19.79 63.51 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 111.739 0.274 . . . . 4.9100000000000001 111.739 174.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -89.7 5.82 44.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.915 0.388 . . . . 3.75 110.782 175.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.538 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 2.0 m-70 -92.45 -5.13 52.55 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.443 -0.577 . . . . 1.22 109.443 172.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 37.0 t70 . . . . . 0 C--O 1.246 0.919 0 CA-C-N 115.092 -0.958 . . . . 3.4300000000000002 110.179 -176.543 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.641 ' HD2' ' HD2' ' A' ' 59' ' ' PRO . 16.3 tptm . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.089 -0.337 . . . . 5.7000000000000002 110.089 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.641 ' HD2' ' HD2' ' A' ' 58' ' ' LYS . 79.1 Cg_endo -80.33 46.61 2.29 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.152 2.568 . . . . 2.0099999999999998 113.627 -174.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -125.12 97.07 5.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.593 0.711 . . . . 2.02 111.345 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.526 HG12 ' HB3' ' A' ' 68' ' ' ARG . 43.6 t -126.13 146.65 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-N 114.769 -1.105 . . . . 1.6299999999999999 109.745 178.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.782 ' HA ' HD12 ' A' ' 79' ' ' ILE . 47.8 t -69.05 94.71 0.67 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.667 -0.864 . . . . 0.38 108.667 174.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -56.64 -20.01 19.13 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.562 0.696 . . . . 2.79 110.164 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -87.54 -26.15 23.3 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.137 -0.938 . . . . 3.3999999999999999 113.193 -172.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.1 p -134.7 -5.38 2.5 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 117.96 -1.496 . . . . 0.37 112.86 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.69 -5.27 66.78 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.817 -0.706 . . . . 0.42999999999999999 114.143 173.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -89.1 145.84 25.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.569 0.684 . . . . 2.5299999999999998 110.654 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.526 ' HB3' HG12 ' A' ' 61' ' ' VAL . 12.2 ptm180 -123.9 172.07 9.2 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.858 0.688 . . . . 3.3700000000000001 112.858 -171.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.517 ' HB2' HD23 ' A' ' 75' ' ' LEU . 13.5 m-85 -141.89 170.72 15.19 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 115.022 -0.99 . . . . 0.67000000000000004 109.037 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -105.53 -21.82 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.292 0 N-CA-C 107.464 -1.31 . . . . 1.45 107.464 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.588 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 11.4 mm-40 -102.81 128.09 49.71 Favored 'General case' 0 N--CA 1.424 -1.732 0 CA-C-N 113.902 -1.499 . . . . 2.5299999999999998 108.85 -178.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.6 t -60.46 -43.18 97.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.237 0.541 . . . . 1.74 109.81 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.2 t -67.92 -32.37 72.79 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.585 -0.734 . . . . 1.6100000000000001 110.661 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.588 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 16.9 mt-30 -79.26 -27.77 42.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.381 -0.528 . . . . 2.3900000000000001 109.915 -175.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.534 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 1.3 tm? -72.31 -39.77 68.0 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.241 -1.022 . . . . 2.4500000000000002 108.241 176.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.13 -38.06 84.92 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.69 -0.485 . . . . 1.1000000000000001 109.69 174.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -60.96 -41.62 96.68 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.233 -0.654 . . . . 1.96 109.233 175.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.534 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 30.3 t60 -55.87 -52.84 62.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.835 -1.075 . . . . 0.58999999999999997 111.242 177.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 62' ' ' CYS . 53.6 mt -76.1 -27.93 18.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.098 -0.501 . . . . 1.3999999999999999 112.063 -177.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -69.11 -19.8 64.05 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 120.987 0.422 . . . . 4.9100000000000001 110.742 171.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -79.4 -6.75 57.52 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.501 0.667 . . . . 3.75 109.782 172.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.583 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 8.5 m-70 -88.2 4.17 46.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.578 -0.737 . . . . 1.22 110.106 173.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.467 -0.778 . . . . 3.4300000000000002 110.038 179.24 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.537 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 51.2 m-85 . . . . . 0 N--CA 1.449 -0.522 0 CA-C-O 121.071 0.462 . . . . 1.48 110.293 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.747 HG22 ' HB3' ' A' ' 68' ' ' ARG . 21.4 t -125.75 144.29 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 CA-C-N 115.7 -0.682 . . . . 1.04 110.022 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.891 ' HA ' HD11 ' A' ' 79' ' ' ILE . 53.9 t -68.78 101.11 1.26 Allowed 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.614 -0.721 . . . . 0.38 110.226 177.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -56.73 -23.84 45.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.37 0.605 . . . . 2.79 110.316 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -84.9 -27.01 26.93 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 113.391 0.886 . . . . 2.77 113.391 -172.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 12.4 p -139.54 -4.1 1.46 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 118.115 -1.434 . . . . 0.37 113.631 175.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.62 12.33 61.07 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 120.276 -0.964 . . . . 0.42999999999999999 114.403 173.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -99.78 137.63 37.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 117.664 0.732 . . . . 2.0699999999999998 111.191 175.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.747 ' HB3' HG22 ' A' ' 61' ' ' VAL . 32.7 ptt180 -113.93 167.85 10.3 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.167 -0.47 . . . . 2.9100000000000001 111.99 -176.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.503 ' HB2' HD23 ' A' ' 75' ' ' LEU . 12.4 m-85 -142.25 147.61 36.75 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-O 121.899 0.857 . . . . 0.53000000000000003 111.072 -176.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 66.9 t -69.8 -32.19 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.265 0 CA-C-N 113.678 -1.601 . . . . 0.70999999999999996 110.364 176.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.613 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 14.3 mm-40 -105.03 128.9 53.52 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 116.121 -0.49 . . . . 1.98 110.094 -178.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.2 m -61.08 -37.23 81.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.854 -0.612 . . . . 1.52 109.728 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.9 t -60.85 -41.86 96.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.189 -0.914 . . . . 1.3899999999999999 110.737 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.613 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 0.5 OUTLIER -75.88 -30.76 58.96 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 109.651 -0.499 . . . . 2.23 109.651 -174.391 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.537 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 1.1 tm? -70.0 -41.97 73.67 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.88 -0.785 . . . . 1.8700000000000001 108.88 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.97 -37.21 81.26 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.815 -0.439 . . . . 0.34000000000000002 109.815 175.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -61.32 -41.61 97.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.585 0.707 . . . . 1.3300000000000001 109.246 174.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.513 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 55.0 t60 -57.16 -53.4 58.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.865 -1.061 . . . . 0.46000000000000002 111.011 177.189 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.891 HD11 ' HA ' ' A' ' 62' ' ' CYS . 67.2 mt -76.46 -22.68 15.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.088 -0.506 . . . . 0.69999999999999996 111.927 -176.156 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.58 -28.56 60.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 120.91 0.386 . . . . 4.21 110.932 168.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -82.85 -1.84 53.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 2.8999999999999999 111.105 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 55.3 m80 . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 116.148 -0.478 . . . . 0.92000000000000004 109.943 175.24 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.722 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 20.9 m-85 . . . . . 0 N--CA 1.449 -0.475 0 CA-C-O 121.512 0.672 . . . . 1.48 111.062 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.622 HG22 ' HG2' ' A' ' 68' ' ' ARG . 29.0 t -120.59 143.18 33.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 CA-C-N 115.044 -0.98 . . . . 1.04 109.953 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.753 ' HA ' HD11 ' A' ' 79' ' ' ILE . 49.2 t -81.32 104.9 12.1 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.202 -0.666 . . . . 0.38 109.202 173.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -65.25 -20.55 66.47 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.438 0.637 . . . . 2.79 109.771 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -76.91 -32.95 57.76 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.393 -0.821 . . . . 2.77 112.539 -175.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.0 p -139.07 10.25 2.57 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 118.579 -1.248 . . . . 0.37 112.699 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.73 -16.66 24.94 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 114.184 0.433 . . . . 0.42999999999999999 114.184 171.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -81.27 137.79 35.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.227 0.513 . . . . 2.0699999999999998 112.031 -173.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.622 ' HG2' HG22 ' A' ' 61' ' ' VAL . 19.1 mtp180 -102.23 172.29 6.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 113.854 1.057 . . . . 2.9100000000000001 113.854 -173.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.623 ' HE2' ' ND1' ' A' ' 78' ' ' HIS . 16.8 m-85 -146.47 143.31 28.89 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 113.907 -1.497 . . . . 0.53000000000000003 109.42 172.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.8 t -75.22 -32.86 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.346 0 CA-C-N 114.38 -1.282 . . . . 0.70999999999999996 109.692 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -96.62 129.13 44.06 Favored 'General case' 0 N--CA 1.423 -1.823 0 CA-C-N 116.019 -0.537 . . . . 1.98 110.198 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 p -55.61 -43.76 76.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.378 -0.828 . . . . 1.52 110.467 178.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.8 m -59.3 -42.33 91.09 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.252 -0.886 . . . . 1.3899999999999999 111.029 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -75.25 -32.77 61.19 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 110.147 -0.316 . . . . 2.23 110.147 -172.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.722 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 1.6 tm? -71.73 -40.31 69.51 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.024 -0.732 . . . . 1.8700000000000001 109.024 178.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.24 -36.27 81.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.735 -0.469 . . . . 0.34000000000000002 109.735 175.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -63.07 -41.78 99.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.548 0.69 . . . . 1.3300000000000001 109.244 174.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.623 ' ND1' ' HE2' ' A' ' 69' ' ' PHE . 43.3 t60 -56.66 -46.95 80.78 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.582 -1.19 . . . . 0.46000000000000002 111.445 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.753 HD11 ' HA ' ' A' ' 62' ' ' CYS . 62.4 mt -80.57 -30.35 12.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 112.185 0.439 . . . . 0.69999999999999996 112.185 -177.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -60.77 -25.02 66.21 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.316 0.579 . . . . 4.21 110.573 167.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.426 ' HB3' ' O ' ' A' ' 78' ' ' HIS . 8.4 t-160 -76.59 -7.23 54.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.404 -0.817 . . . . 2.8999999999999999 109.736 176.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 23.1 m80 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.003 -0.544 . . . . 0.92000000000000004 110.786 177.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.792 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 94.2 m-85 . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 121.381 0.61 . . . . 1.48 111.888 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.564 HG13 ' HB3' ' A' ' 68' ' ' ARG . 59.0 t -133.64 142.16 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 CA-C-N 115.401 -0.818 . . . . 1.04 109.545 178.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.69 ' HA ' HD11 ' A' ' 79' ' ' ILE . 53.2 t -71.46 100.55 2.23 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.371 -0.603 . . . . 0.38 109.371 175.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -51.87 -28.85 17.46 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.375 0.607 . . . . 2.79 110.568 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -80.01 -36.8 35.34 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.07 -0.968 . . . . 2.77 113.12 -170.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.521 ' SG ' ' HD2' ' A' ' 67' ' ' LYS . 14.0 p -134.38 7.9 3.64 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 118.607 -1.237 . . . . 0.37 112.643 178.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.81 -19.24 16.8 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 121.039 -0.601 . . . . 0.42999999999999999 113.86 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.521 ' HD2' ' SG ' ' A' ' 65' ' ' CYS . 55.9 mttm -73.21 128.4 35.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.215 0.507 . . . . 2.0699999999999998 110.271 -177.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.564 ' HB3' HG13 ' A' ' 61' ' ' VAL . 31.5 ptt180 -115.15 168.92 9.51 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.46 0.648 . . . . 2.9100000000000001 112.676 -170.178 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.513 ' HE2' ' ND1' ' A' ' 78' ' ' HIS . 48.5 m-85 -149.07 143.46 26.06 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 114.618 -1.174 . . . . 0.53000000000000003 108.877 -177.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.06 -30.4 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 CA-C-N 114.945 -1.025 . . . . 0.70999999999999996 110.319 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -100.09 129.23 46.11 Favored 'General case' 0 N--CA 1.424 -1.738 0 CA-C-N 116.23 -0.441 . . . . 1.98 110.791 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.429 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 33.1 t -56.82 -40.0 75.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.217 -0.901 . . . . 1.52 110.444 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.8 t -62.76 -40.08 96.18 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.774 -0.648 . . . . 1.3899999999999999 110.276 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -79.35 -30.13 42.51 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.828 0.347 . . . . 2.23 110.214 -175.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.792 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 1.1 tm? -69.94 -40.62 75.36 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.885 -0.783 . . . . 1.8700000000000001 108.885 175.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 80' ' ' ARG . . . -68.15 -38.57 82.28 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 109.49 -0.559 . . . . 0.34000000000000002 109.49 175.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -57.75 -42.3 83.68 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.547 0.689 . . . . 1.3300000000000001 109.155 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.521 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 55.6 t60 -58.15 -53.69 55.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.679 -1.146 . . . . 0.46000000000000002 111.61 177.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.69 HD11 ' HA ' ' A' ' 62' ' ' CYS . 64.7 mt -75.6 -21.6 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.848 -0.615 . . . . 0.69999999999999996 111.774 -176.411 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 72.4 mtt180 -61.67 -16.86 52.49 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.935 0.398 . . . . 4.21 111.909 171.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -90.18 -2.67 58.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.362 0.601 . . . . 2.8999999999999999 110.037 175.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.426 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 22.7 m80 . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.175 -0.466 . . . . 0.92000000000000004 111.024 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.626 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 13.3 m-85 . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 121.244 0.545 . . . . 1.48 111.074 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.837 HG22 ' HG2' ' A' ' 68' ' ' ARG . 66.7 t -124.42 136.79 59.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.383 -0.826 . . . . 1.04 110.214 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.629 ' HA ' HD11 ' A' ' 79' ' ' ILE . 31.4 t -67.2 104.18 1.4 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.297 -0.411 . . . . 0.38 110.111 176.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -55.03 -28.01 48.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.963 -0.562 . . . . 2.79 111.083 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.57 ' HD3' HG23 ' A' ' 79' ' ' ILE . 30.1 mtp180 -78.75 -38.17 39.38 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 113.431 0.9 . . . . 2.77 113.431 -173.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.1 p -133.34 -4.43 3.01 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 118.093 -1.443 . . . . 0.37 113.036 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.2 -10.32 65.47 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.528 -0.844 . . . . 0.42999999999999999 114.197 173.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -75.97 140.48 42.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 117.679 0.74 . . . . 2.0699999999999998 111.359 -177.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.837 ' HG2' HG22 ' A' ' 61' ' ' VAL . 53.4 mtt180 -103.05 160.87 14.25 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 113.157 0.799 . . . . 2.9100000000000001 113.157 -174.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.577 ' HE2' ' ND1' ' A' ' 78' ' ' HIS . 38.8 m-85 -149.46 139.42 21.98 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 114.299 -1.319 . . . . 0.53000000000000003 109.934 176.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.5 t -73.14 -30.52 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 CA-C-N 114.044 -1.435 . . . . 0.70999999999999996 110.493 -177.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.402 ' HB2' ' HG2' ' A' ' 74' ' ' GLN . 18.4 mt-30 -101.65 129.39 47.77 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-N 116.271 -0.422 . . . . 1.98 110.091 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.5 m -55.53 -40.78 72.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.278 -0.874 . . . . 1.52 110.352 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.7 p -65.99 -35.5 80.75 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.52 -0.764 . . . . 1.3899999999999999 111.27 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.402 ' HG2' ' HB2' ' A' ' 71' ' ' GLN . 88.4 mm-40 -76.4 -31.84 58.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.88 -0.415 . . . . 2.23 109.88 -176.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.626 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 1.2 tm? -69.54 -40.78 76.67 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.613 -0.884 . . . . 1.8700000000000001 108.613 175.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.93 -38.75 86.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.806 -0.634 . . . . 0.34000000000000002 110.037 175.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -60.62 -42.66 97.32 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.467 -0.568 . . . . 1.3300000000000001 109.467 174.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.577 ' ND1' ' HE2' ' A' ' 69' ' ' PHE . 65.5 t60 -54.27 -52.74 60.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.063 -0.972 . . . . 0.46000000000000002 111.151 177.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.629 HD11 ' HA ' ' A' ' 62' ' ' CYS . 50.4 mt -76.2 -31.96 21.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.907 -0.588 . . . . 0.69999999999999996 112.107 -177.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 29.9 mtm180 -68.08 -12.15 60.33 Favored 'General case' 0 N--CA 1.444 -0.767 0 O-C-N 122.022 -0.423 . . . . 4.21 111.357 173.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -96.3 2.54 52.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.589 -0.278 . . . . 2.8999999999999999 110.785 173.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.531 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.6 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.953 0.406 . . . . 0.92000000000000004 110.683 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.753 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 42.5 m-85 . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 120.953 0.406 . . . . 1.48 111.284 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.616 HG22 ' HB3' ' A' ' 68' ' ' ARG . 46.3 t -121.39 129.97 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.554 -0.748 . . . . 1.04 110.054 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 31.6 t -68.47 108.58 3.34 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.111 -0.495 . . . . 0.38 109.818 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.435 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -63.23 -24.57 67.93 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.336 0.589 . . . . 2.79 109.708 178.628 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -85.59 -25.09 26.89 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 113.427 0.899 . . . . 2.77 113.427 -170.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.7 p -140.16 12.58 2.41 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 118.411 -1.316 . . . . 0.37 112.683 171.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.08 -4.54 46.57 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 114.832 0.693 . . . . 0.42999999999999999 114.832 169.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.509 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 45.4 mttp -89.42 136.66 32.9 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.655 0.727 . . . . 2.0699999999999998 110.167 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.616 ' HB3' HG22 ' A' ' 61' ' ' VAL . 12.3 ptt180 -121.21 168.29 11.76 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 112.986 0.736 . . . . 2.9100000000000001 112.986 -173.25 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.444 ' HD2' HD22 ' A' ' 75' ' ' LEU . 55.6 m-85 -148.99 149.64 31.51 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.025 -0.989 . . . . 0.53000000000000003 109.57 -175.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.414 HG23 ' H ' ' A' ' 70' ' ' VAL . 2.3 t -70.64 -33.32 52.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 114.855 -1.066 . . . . 0.70999999999999996 109.306 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -98.06 128.71 44.75 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-N 115.028 -0.987 . . . . 1.98 109.991 -172.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 p -57.69 -41.66 82.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.889 -0.596 . . . . 1.52 109.99 175.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.6 m -63.42 -40.03 96.09 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.357 -0.838 . . . . 1.3899999999999999 110.935 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.406 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 7.0 tp60 -74.13 -33.26 63.49 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.278 -0.638 . . . . 2.23 109.278 -175.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.753 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 1.3 tm? -71.38 -39.96 70.9 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.121 -0.696 . . . . 1.8700000000000001 109.121 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.09 -23.59 51.86 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.422 -0.511 . . . . 0.34000000000000002 110.149 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -69.37 -36.58 76.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.431 -0.952 . . . . 1.3300000000000001 108.431 169.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.657 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 36.1 t60 -61.7 -39.59 92.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.849 -1.069 . . . . 0.46000000000000002 110.488 171.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.671 HG12 ' O ' ' A' ' 75' ' ' LEU . 49.7 mm -70.85 -39.39 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-O 121.072 0.463 . . . . 0.69999999999999996 110.362 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 80' ' ' ARG . 25.6 mmt180 -63.75 -20.76 66.0 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 120.906 0.384 . . . . 4.21 111.502 173.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -76.76 -7.36 55.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.27 0.557 . . . . 2.8999999999999999 109.603 175.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.595 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 10.2 m-70 . . . . . 0 C--O 1.235 0.334 0 CA-C-N 115.633 -0.712 . . . . 0.92000000000000004 110.86 176.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.528 ' HB3' HD22 ' A' ' 75' ' ' LEU . 77.1 m-85 . . . . . 0 N--CA 1.451 -0.411 0 CA-C-O 121.386 0.612 . . . . 1.48 111.266 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.616 ' HA ' ' HA ' ' A' ' 68' ' ' ARG . 35.2 t -127.67 142.06 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-N 115.849 -0.614 . . . . 1.04 109.546 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 64' ' ' ARG . 49.3 t -73.37 91.43 1.74 Allowed 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.598 -0.89 . . . . 0.38 108.598 174.243 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -58.73 -20.95 53.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.393 0.616 . . . . 2.79 109.518 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.547 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 30.4 mtp180 -68.03 -40.6 82.88 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.087 -0.96 . . . . 2.77 112.761 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.1 p -132.51 -4.84 3.32 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 118.365 -1.334 . . . . 0.37 113.101 178.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.24 -23.49 31.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.937 -0.649 . . . . 0.42999999999999999 113.716 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -69.1 120.12 14.45 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 117.547 0.674 . . . . 2.0699999999999998 111.729 -176.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.616 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 15.8 ptp180 -97.75 161.78 13.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.071 -0.513 . . . . 2.9100000000000001 111.582 -178.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.412 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 79.2 m-85 -148.28 140.92 24.5 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 115.47 -0.786 . . . . 0.53000000000000003 109.418 -177.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.6 t -77.88 -31.74 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 CA-C-N 114.983 -1.008 . . . . 0.70999999999999996 110.289 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.498 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 34.5 mt-30 -96.53 129.3 43.93 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 115.872 -0.604 . . . . 1.98 109.962 -178.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.7 t -59.16 -40.48 85.73 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.292 -0.633 . . . . 1.52 109.292 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.7 t -58.91 -46.49 87.79 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.573 -0.74 . . . . 1.3899999999999999 110.348 176.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.498 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 4.9 tp-100 -69.27 -38.73 78.52 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.133 -0.691 . . . . 2.23 109.133 -173.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 60' ' ' TYR . 52.2 tp -63.21 -57.29 10.97 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.226 -0.897 . . . . 1.8700000000000001 110.426 176.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.566 ' O ' ' HB3' ' A' ' 80' ' ' ARG . . . -54.13 -39.77 66.77 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.791 -1.095 . . . . 0.34000000000000002 110.279 177.153 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -55.11 -50.52 69.0 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.326 0.584 . . . . 1.3300000000000001 109.575 174.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -62.98 -47.4 83.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.243 -0.889 . . . . 0.46000000000000002 110.636 -176.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.506 HD11 ' HA ' ' A' ' 62' ' ' CYS . 55.6 mt -76.56 -27.7 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 115.793 -0.64 . . . . 0.69999999999999996 112.159 -174.089 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.566 ' HB3' ' O ' ' A' ' 76' ' ' ALA . 1.1 ppt_? -63.91 -20.49 65.88 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 120.992 0.425 . . . . 4.21 110.491 179.013 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -90.05 -8.16 52.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 2.8999999999999999 110.269 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.487 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 4.9 m80 . . . . . 0 CA--C 1.514 -0.423 0 CA-C-O 121.551 0.691 . . . . 0.92000000000000004 109.928 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 121.905 0.859 . . . . 1.48 111.365 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.633 ' HA ' ' HA ' ' A' ' 68' ' ' ARG . 6.5 p -119.91 142.84 33.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 114.74 -1.118 . . . . 1.04 109.178 176.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.504 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 9.5 t -63.18 107.88 1.15 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.825 -0.435 . . . . 0.38 109.825 175.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -57.98 -22.29 48.64 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.516 -0.766 . . . . 2.79 111.369 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -86.1 -44.55 12.17 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 113.135 0.791 . . . . 2.77 113.135 -174.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.5 p -129.44 6.25 5.25 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 118.576 -1.25 . . . . 0.37 112.737 -176.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.74 -6.59 83.21 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.758 -0.734 . . . . 0.42999999999999999 114.663 169.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -80.75 122.34 27.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.909 0.855 . . . . 2.0699999999999998 111.754 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.633 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 16.1 mtm180 -80.72 160.28 24.99 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.676 0.991 . . . . 2.9100000000000001 113.676 -175.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.433 ' HE1' ' ND1' ' A' ' 78' ' ' HIS . 11.4 m-85 -147.49 144.5 28.62 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 114.171 -1.377 . . . . 0.53000000000000003 109.726 176.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.1 t -76.01 -33.12 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.298 0 CA-C-N 114.345 -1.298 . . . . 0.70999999999999996 110.586 -177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -109.19 141.01 42.05 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-O 121.069 0.461 . . . . 1.98 111.125 -176.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.5 t -64.99 -36.6 84.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.12 -0.945 . . . . 1.52 109.956 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 p -62.56 -47.34 84.29 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.485 -0.78 . . . . 1.3899999999999999 110.447 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.529 ' HA ' ' HB3' ' A' ' 77' ' ' ASN . 97.0 mt-30 -72.68 -26.7 61.71 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.058 -0.519 . . . . 2.23 109.824 -176.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.603 ' O ' HG12 ' A' ' 79' ' ' ILE . 20.8 tp -62.42 -58.26 8.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.501 -0.772 . . . . 1.8700000000000001 110.406 174.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -67.67 -25.05 65.51 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 116.228 -0.442 . . . . 0.34000000000000002 110.34 176.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.529 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 25.6 t-20 -60.73 -43.48 97.83 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.675 -0.861 . . . . 1.3300000000000001 108.675 170.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.58 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 43.7 t60 -62.34 -42.55 99.48 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.897 -1.047 . . . . 0.46000000000000002 110.567 175.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.603 HG12 ' O ' ' A' ' 75' ' ' LEU . 42.3 mm -67.47 -38.93 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.788 -0.642 . . . . 0.69999999999999996 110.931 -179.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 76' ' ' ALA . 12.6 mmm180 -56.69 -25.72 54.77 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 112.562 0.578 . . . . 4.21 112.562 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -87.24 -0.99 57.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.088 0.47 . . . . 2.8999999999999999 110.593 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 5.7 m-70 . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 121.452 0.644 . . . . 0.92000000000000004 110.907 177.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.524 ' CE1' ' HB3' ' A' ' 72' ' ' SER . 84.5 m-85 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 121.598 0.713 . . . . 1.48 110.45 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.895 HG22 ' HG2' ' A' ' 68' ' ' ARG . 75.0 t -138.4 140.03 40.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.173 -0.921 . . . . 1.04 108.971 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 26.1 t -70.98 103.47 2.68 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.658 -0.867 . . . . 0.38 108.658 173.301 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -7.09 46.26 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.459 0.647 . . . . 2.79 109.697 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -92.56 -23.65 18.99 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.428 -0.806 . . . . 2.77 112.289 -174.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.4 p -138.25 -2.13 1.86 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 118.665 -1.214 . . . . 0.37 112.632 168.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.6 14.64 59.53 Favored Glycine 0 CA--C 1.517 0.214 0 N-CA-C 114.701 0.64 . . . . 0.42999999999999999 114.701 170.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.606 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 29.9 mmmt -99.95 142.86 30.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 117.876 0.838 . . . . 2.0699999999999998 111.494 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.895 ' HG2' HG22 ' A' ' 61' ' ' VAL . 96.6 mtt180 -94.92 156.79 16.19 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.732 1.012 . . . . 2.9100000000000001 113.732 -174.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.649 ' CE2' ' HB2' ' A' ' 78' ' ' HIS . 15.8 m-85 -151.74 141.72 22.1 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 114.156 -1.383 . . . . 0.53000000000000003 109.2 172.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -84.24 -32.47 8.27 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 CA-C-N 115.198 -0.91 . . . . 0.70999999999999996 110.152 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.521 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 9.6 mm-40 -95.12 130.79 41.69 Favored 'General case' 0 N--CA 1.426 -1.655 0 N-CA-C 109.598 -0.519 . . . . 1.98 109.598 -178.374 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.524 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 12.9 p -62.58 -33.8 75.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.028 0.442 . . . . 1.52 110.19 178.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 p -65.91 -43.22 88.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.822 -0.626 . . . . 1.3899999999999999 110.535 176.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.521 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 81.3 mm-40 -76.57 -22.39 54.35 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.005 0.431 . . . . 2.23 110.037 -177.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.576 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 15.9 tp -64.27 -54.43 33.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.633 -0.712 . . . . 1.8700000000000001 109.683 172.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.72 -25.93 65.9 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.765 -0.652 . . . . 0.34000000000000002 110.764 175.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.421 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 61.2 t30 -64.07 -36.28 83.51 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.921 -0.77 . . . . 1.3300000000000001 108.921 172.322 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.649 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 58.1 t60 -66.58 -41.72 88.08 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.353 -0.84 . . . . 0.46000000000000002 110.795 175.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.667 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 12.5 mm -68.04 -36.27 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.182 0.515 . . . . 0.69999999999999996 109.761 176.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -57.66 -36.26 71.65 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.727 -0.669 . . . . 4.21 112.133 175.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -82.69 3.59 28.44 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.132 0.491 . . . . 2.8999999999999999 110.715 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.667 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 3.7 m-70 . . . . . 0 C--N 1.326 -0.422 0 N-CA-C 109.083 -0.71 . . . . 0.92000000000000004 109.083 171.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 N--CA 1.448 -0.557 0 CA-C-O 120.916 0.388 . . . . 1.48 110.442 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.602 ' HA ' ' HA ' ' A' ' 68' ' ' ARG . 23.6 t -126.85 142.89 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-N 116.187 -0.461 . . . . 1.04 109.771 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.937 ' HA ' HD11 ' A' ' 79' ' ' ILE . 48.4 t -70.32 99.6 1.58 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.327 -0.619 . . . . 0.38 109.327 176.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -58.45 -16.4 14.89 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.351 0.596 . . . . 2.79 110.776 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -95.8 -22.29 17.58 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 113.566 0.95 . . . . 2.77 113.566 -173.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.8 p -139.94 3.23 2.0 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 118.219 -1.393 . . . . 0.37 112.776 172.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.4 -14.69 61.9 Favored Glycine 0 C--O 1.227 -0.332 0 C-N-CA 120.967 -0.635 . . . . 0.42999999999999999 113.97 172.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -81.11 130.0 34.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.397 0.599 . . . . 2.0699999999999998 111.057 -177.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.602 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 13.5 ptt180 -104.02 170.91 7.64 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.172 0.805 . . . . 2.9100000000000001 113.172 -170.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.441 ' HE1' ' ND1' ' A' ' 78' ' ' HIS . 30.0 m-85 -143.92 177.96 8.18 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.411 -1.268 . . . . 0.53000000000000003 108.888 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.8 t -112.06 -19.03 7.17 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 N-CA-C 108.311 -0.996 . . . . 0.70999999999999996 108.311 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.601 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 30.1 mt-30 -112.1 129.01 56.37 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 114.203 -1.362 . . . . 1.98 109.692 -167.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 t -58.37 -46.74 85.75 Favored 'General case' 0 CA--C 1.516 -0.344 0 O-C-N 123.501 0.5 . . . . 1.52 109.98 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.5 p -57.02 -46.52 82.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.337 -0.847 . . . . 1.3899999999999999 110.683 177.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.601 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 16.1 mm100 -71.45 -36.96 71.41 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.513 -0.551 . . . . 2.23 109.513 -172.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.9 tp -63.14 -57.02 11.94 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.415 -0.811 . . . . 1.8700000000000001 110.664 176.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.15 -38.78 74.03 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.231 -0.895 . . . . 0.34000000000000002 110.281 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -58.7 -46.43 87.33 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.465 0.65 . . . . 1.3300000000000001 109.444 175.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.441 ' ND1' ' HE1' ' A' ' 69' ' ' PHE . 48.0 t60 -61.2 -47.31 86.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.831 -1.077 . . . . 0.46000000000000002 110.984 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.937 HD11 ' HA ' ' A' ' 62' ' ' CYS . 70.4 mt -80.06 -22.66 11.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.701 -0.681 . . . . 0.69999999999999996 112.135 -175.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -58.73 -24.61 61.84 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 120.949 0.404 . . . . 4.21 111.362 171.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -88.52 8.78 26.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.181 0.515 . . . . 2.8999999999999999 110.526 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 42.8 m80 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.977 -0.556 . . . . 0.92000000000000004 110.65 176.738 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.591 ' HB2' ' O ' ' A' ' 69' ' ' PHE . 87.5 m-85 . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.994 0.426 . . . . 1.48 111.14 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.62 HG22 ' HB3' ' A' ' 68' ' ' ARG . 24.3 t -127.02 138.01 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.699 0 N-CA-C 109.851 -0.426 . . . . 1.04 109.851 175.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.418 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 41.4 t -71.81 102.94 2.98 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.846 -0.616 . . . . 0.38 109.906 177.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.1 -15.75 57.7 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.321 0.581 . . . . 2.79 110.167 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.404 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 53.5 mtt180 -87.11 -30.45 21.09 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.619 -0.718 . . . . 2.77 112.417 -172.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.2 p -137.98 2.17 2.33 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 118.668 -1.213 . . . . 0.37 112.99 173.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.45 5.99 81.43 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 114.75 0.66 . . . . 0.42999999999999999 114.75 170.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 30.0 mmmt -96.81 143.56 27.61 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.899 0.849 . . . . 2.0699999999999998 109.858 177.16 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.62 ' HB3' HG22 ' A' ' 61' ' ' VAL . 13.1 ptt-85 -118.11 167.21 11.69 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 113.072 0.767 . . . . 2.9100000000000001 113.072 -171.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.591 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 14.7 m-85 -148.64 151.05 34.32 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.63 -1.168 . . . . 0.53000000000000003 109.538 -177.118 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 81.6 t -85.51 -30.93 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.255 0 CA-C-N 115.056 -0.975 . . . . 0.70999999999999996 110.325 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.425 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 34.4 mt-30 -99.23 136.85 38.57 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 116.182 -0.463 . . . . 1.98 111.303 -174.172 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.428 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 4.0 m -52.65 -51.32 60.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.759 -0.655 . . . . 1.52 110.731 178.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.1 m -61.48 -38.86 88.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.47 -0.786 . . . . 1.3899999999999999 111.258 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.521 ' HB3' ' CD1' ' A' ' 69' ' ' PHE . 22.1 mm-40 -71.47 -29.08 64.43 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.45 -0.341 . . . . 2.23 110.661 -172.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.577 ' O ' HG12 ' A' ' 79' ' ' ILE . 34.0 tp -65.41 -55.86 15.74 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.22 -0.445 . . . . 1.8700000000000001 110.33 176.624 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.54 -23.96 65.49 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 116.038 -0.528 . . . . 0.34000000000000002 110.434 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.472 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 8.7 t30 -61.93 -40.76 96.6 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.051 -0.722 . . . . 1.3300000000000001 109.051 169.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.56 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 49.0 t60 -66.19 -42.08 89.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.066 -0.97 . . . . 0.46000000000000002 110.525 175.04 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.577 HG12 ' O ' ' A' ' 75' ' ' LEU . 31.7 mm -67.13 -32.44 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 0.69999999999999996 110.697 178.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 80' ' ' ARG . 2.8 mmm180 -57.4 -26.4 61.04 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 112.518 0.562 . . . . 4.21 112.518 178.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -86.87 5.16 38.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.344 0.593 . . . . 2.8999999999999999 110.3 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.537 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 7.9 m-70 . . . . . 0 C--N 1.321 -0.654 0 N-CA-C 108.696 -0.853 . . . . 0.92000000000000004 108.696 171.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 1.097 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 67.2 m-85 . . . . . 0 CA--C 1.518 -0.262 0 CA-C-O 121.044 0.449 . . . . 1.48 111.679 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.557 HG13 ' HB3' ' A' ' 68' ' ' ARG . 23.2 t -125.64 148.54 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 CA-C-N 115.62 -0.718 . . . . 1.04 110.084 177.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 52.9 t -81.01 105.51 12.29 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.684 -0.689 . . . . 0.38 109.7 175.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.84 -22.64 64.42 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.404 0.621 . . . . 2.79 109.928 176.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -84.23 -28.27 27.38 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.177 -0.919 . . . . 2.77 113.111 -171.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.1 p -137.88 -2.28 1.92 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 118.546 -1.262 . . . . 0.37 112.438 174.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.77 -17.47 59.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.42999999999999999 113.805 174.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -78.27 141.37 38.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 117.463 0.632 . . . . 2.0699999999999998 111.031 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.557 ' HB3' HG13 ' A' ' 61' ' ' VAL . 8.4 ptp85 -119.37 163.31 17.38 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.108 0.48 . . . . 2.9100000000000001 112.106 -172.044 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.45 ' HE2' ' ND1' ' A' ' 78' ' ' HIS . 5.6 m-85 -141.32 146.27 36.5 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 122.114 0.959 . . . . 0.53000000000000003 111.334 -173.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.1 t -72.39 -38.12 59.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 113.546 -1.661 . . . . 0.70999999999999996 110.18 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -101.32 129.17 47.25 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-N 115.419 -0.81 . . . . 1.98 109.571 -170.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.3 p -55.26 -43.41 74.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.806 0.691 . . . . 1.52 110.61 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.7 p -65.71 -42.0 91.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.432 -0.803 . . . . 1.3899999999999999 111.426 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -75.33 -28.65 59.71 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.406 -0.961 . . . . 2.23 108.406 -175.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 1.097 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 2.6 tm? -69.18 -49.23 58.55 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.01 -0.996 . . . . 1.8700000000000001 109.337 176.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.49 83.71 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.591 -0.731 . . . . 0.34000000000000002 110.265 172.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -58.69 -41.38 86.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.295 0.569 . . . . 1.3300000000000001 109.869 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.53 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 23.6 t60 -59.37 -56.1 26.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.111 -0.95 . . . . 0.46000000000000002 111.158 178.487 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.464 HD12 ' HD2' ' A' ' 78' ' ' HIS . 2.1 mp -66.85 -30.46 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.439 -0.346 . . . . 0.69999999999999996 111.772 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -56.28 -26.33 51.48 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 111.756 0.28 . . . . 4.21 111.756 172.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -80.88 -7.03 59.36 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.253 0.549 . . . . 2.8999999999999999 110.406 178.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.1 m80 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.92000000000000004 110.955 179.52 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.443 ' CE2' ' HA ' ' A' ' 72' ' ' SER . 19.6 m-85 . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 121.445 0.641 . . . . 1.48 111.101 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.956 HG22 ' HG2' ' A' ' 68' ' ' ARG . 64.0 t -117.93 137.14 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 115.289 -0.869 . . . . 1.04 110.407 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.677 ' SG ' ' HB2' ' A' ' 64' ' ' ARG . 42.8 t -74.53 94.01 2.56 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 107.938 -1.134 . . . . 0.38 107.938 170.009 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -63.76 -14.09 49.56 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.308 0.575 . . . . 2.79 109.775 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.677 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 17.3 mtp180 -67.98 -54.01 21.74 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.343 -0.844 . . . . 2.77 111.815 175.051 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.2 p -121.05 1.82 10.39 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 118.802 -1.159 . . . . 0.37 112.841 -176.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.4 11.96 79.39 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 120.916 -0.659 . . . . 0.42999999999999999 114.119 173.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -95.82 134.16 39.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 117.754 0.777 . . . . 2.0699999999999998 111.282 177.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.956 ' HG2' HG22 ' A' ' 61' ' ' VAL . 53.3 mtm-85 -97.31 157.54 15.92 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 113.151 0.797 . . . . 2.9100000000000001 113.151 -177.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 78' ' ' HIS . 12.5 m-85 -144.43 137.77 27.23 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.362 -1.29 . . . . 0.53000000000000003 109.769 176.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.5 t -82.29 -30.17 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 CA-C-N 114.376 -1.284 . . . . 0.70999999999999996 110.921 -175.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.452 ' HB2' ' CG ' ' A' ' 74' ' ' GLN . 45.8 mt-30 -98.39 129.09 45.04 Favored 'General case' 0 N--CA 1.423 -1.799 0 O-C-N 122.27 -0.269 . . . . 1.98 110.297 -174.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.443 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 31.7 m -50.34 -52.51 36.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.479 0.487 . . . . 1.52 111.69 -170.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.0 m -68.42 -25.33 64.97 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.77 -0.65 . . . . 1.3899999999999999 111.624 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.452 ' CG ' ' HB2' ' A' ' 71' ' ' GLN . 13.6 mm100 -78.13 -21.53 50.21 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 120.746 -0.382 . . . . 2.23 110.568 -173.039 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.4 tp -65.9 -53.9 33.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.404 0.621 . . . . 1.8700000000000001 109.646 172.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.52 -36.26 75.76 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.159 -0.928 . . . . 0.34000000000000002 110.17 173.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.41 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 24.5 t-20 -59.25 -45.77 90.27 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.484 -0.561 . . . . 1.3300000000000001 109.484 175.055 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 69' ' ' PHE . 69.6 t60 -58.15 -51.45 69.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.827 -0.624 . . . . 0.46000000000000002 111.049 178.451 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.621 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 31.7 mt -72.97 -27.28 24.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.297 -0.41 . . . . 0.69999999999999996 111.844 -176.281 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -72.34 1.85 7.12 Favored 'General case' 0 N--CA 1.446 -0.649 0 O-C-N 121.922 -0.486 . . . . 4.21 111.652 171.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.47 ' HB2' ' O ' ' A' ' 78' ' ' HIS . 38.9 m80 -98.41 -2.41 39.18 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.777 -0.453 . . . . 2.8999999999999999 109.777 169.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.621 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.235 0.312 0 CA-C-N 115.978 -0.555 . . . . 0.92000000000000004 111.785 -175.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.509 ' HB3' HD22 ' A' ' 75' ' ' LEU . 22.7 m-85 . . . . . 0 CA--C 1.516 -0.335 0 N-CA-C 109.568 -0.53 . . . . 1.48 109.568 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.634 HG22 ' HB3' ' A' ' 68' ' ' ARG . 22.2 t -122.7 142.83 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-O 121.046 0.451 . . . . 1.04 110.464 -178.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.544 ' HA ' HD11 ' A' ' 79' ' ' ILE . 51.3 t -74.78 109.31 8.15 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.741 -0.663 . . . . 0.38 109.479 176.27 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.59 -22.95 64.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.078 -0.51 . . . . 2.79 110.981 178.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.527 ' HB2' ' CD2' ' A' ' 82' ' ' HIS . 78.1 mtt180 -87.58 -31.93 19.61 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 113.394 0.887 . . . . 2.77 113.394 -171.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.4 p -132.9 -1.95 3.3 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 118.103 -1.439 . . . . 0.37 112.759 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.45 -11.3 72.43 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.524 -0.846 . . . . 0.42999999999999999 114.192 173.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -82.04 141.22 33.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.385 0.592 . . . . 2.0699999999999998 110.776 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.634 ' HB3' HG22 ' A' ' 61' ' ' VAL . 23.2 ptt180 -121.4 168.41 11.71 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.593 0.59 . . . . 2.9100000000000001 112.593 -173.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.449 ' CE2' ' HG3' ' A' ' 74' ' ' GLN . 75.7 m-85 -146.02 178.13 8.44 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 114.994 -1.003 . . . . 0.53000000000000003 109.58 -173.091 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -115.47 -23.7 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.236 0 N-CA-C 108.265 -1.013 . . . . 0.70999999999999996 108.265 178.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.686 ' HB2' ' HB3' ' A' ' 74' ' ' GLN . 61.6 mt-30 -97.43 128.05 43.89 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 114.7 -1.136 . . . . 1.98 109.444 -175.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.8 t -62.87 -42.75 99.88 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.49 -0.559 . . . . 1.52 109.49 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.4 t -63.2 -42.09 99.26 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.538 -0.756 . . . . 1.3899999999999999 109.917 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.686 ' HB3' ' HB2' ' A' ' 71' ' ' GLN . 6.5 tp-100 -72.78 -32.64 65.74 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.988 -0.745 . . . . 2.23 108.988 -173.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.509 HD22 ' HB3' ' A' ' 60' ' ' TYR . 39.5 tp -64.14 -57.25 10.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.856 -1.066 . . . . 1.8700000000000001 110.145 176.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.5 ' O ' ' HG3' ' A' ' 80' ' ' ARG . . . -58.23 -37.81 75.59 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.365 -0.834 . . . . 0.34000000000000002 110.453 174.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -58.74 -45.26 90.07 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.674 -0.491 . . . . 1.3300000000000001 109.674 175.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.444 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 73.8 t60 -58.39 -53.44 58.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.638 -0.71 . . . . 0.46000000000000002 110.848 178.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.544 HD11 ' HA ' ' A' ' 62' ' ' CYS . 38.8 mt -73.84 -23.72 19.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.451 -0.795 . . . . 0.69999999999999996 112.327 -175.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 16.3 mtm180 -55.51 -29.65 59.23 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.92 0.391 . . . . 4.21 111.723 173.36 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -91.57 22.09 4.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.699 0.762 . . . . 2.8999999999999999 110.271 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.527 ' CD2' ' HB2' ' A' ' 64' ' ' ARG . 1.6 m-70 . . . . . 0 C--N 1.321 -0.641 0 CA-C-O 121.483 0.659 . . . . 0.92000000000000004 109.826 172.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.609 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 5.2 m-85 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 121.243 0.544 . . . . 1.48 111.266 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.501 HG22 ' HB3' ' A' ' 68' ' ' ARG . 54.7 t -113.77 136.79 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 115.343 -0.844 . . . . 1.04 110.169 177.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 64' ' ' ARG . 14.6 t -73.15 98.83 2.67 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.406 -0.961 . . . . 0.38 108.406 171.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.2 -17.91 65.02 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.478 -0.564 . . . . 2.79 109.478 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.523 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 51.2 mtp180 -70.51 -42.09 71.75 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.451 -0.795 . . . . 2.77 111.489 -177.112 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.2 p -133.8 4.42 3.57 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 118.985 -1.086 . . . . 0.37 112.688 177.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.33 -11.33 72.38 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 114.624 0.61 . . . . 0.42999999999999999 114.624 170.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 62' ' ' CYS . 53.9 mttm -88.52 122.91 32.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.713 0.757 . . . . 2.0699999999999998 110.898 -176.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.501 ' HB3' HG22 ' A' ' 61' ' ' VAL . 21.2 ptt180 -107.22 168.65 9.07 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 112.558 0.577 . . . . 2.9100000000000001 112.558 -174.275 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.543 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 37.7 m-85 -140.72 143.37 34.97 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 115.052 -0.976 . . . . 0.53000000000000003 109.75 -178.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.2 t -68.65 -27.22 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 CA-C-N 114.326 -1.306 . . . . 0.70999999999999996 110.604 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -108.29 130.69 55.17 Favored 'General case' 0 N--CA 1.429 -1.525 0 CA-C-O 120.92 0.391 . . . . 1.98 110.38 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 m -56.41 -39.64 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.567 -0.742 . . . . 1.52 110.603 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.0 t -59.58 -43.75 93.53 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.674 -0.694 . . . . 1.3899999999999999 110.501 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -75.48 -32.35 60.54 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.536 -0.302 . . . . 2.23 110.362 -174.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.732 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 2.2 tm? -71.17 -38.9 72.14 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.313 -0.625 . . . . 1.8700000000000001 109.313 177.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' A' ' 80' ' ' ARG . . . -75.68 -29.97 59.22 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.094 -0.643 . . . . 0.34000000000000002 109.939 176.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -62.24 -37.79 86.77 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.368 -0.975 . . . . 1.3300000000000001 108.368 170.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.732 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 50.7 t60 -58.86 -49.25 78.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.725 -1.125 . . . . 0.46000000000000002 110.451 173.497 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.648 HG12 ' O ' ' A' ' 75' ' ' LEU . 33.1 mm -63.76 -39.87 86.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.904 -0.589 . . . . 0.69999999999999996 110.799 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 88.1 mtt180 -55.26 -31.26 61.4 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 113.137 0.791 . . . . 4.21 113.137 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.479 ' NE2' ' HA ' ' A' ' 78' ' ' HIS . 30.4 p80 -99.44 29.77 3.86 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.444 0.64 . . . . 2.8999999999999999 111.121 176.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.495 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.8 m-70 . . . . . 0 C--N 1.327 -0.405 0 N-CA-C 109.102 -0.703 . . . . 0.92000000000000004 109.102 168.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.501 ' HB3' HD22 ' A' ' 75' ' ' LEU . 97.5 m-85 . . . . . 0 N--CA 1.454 -0.233 0 CA-C-O 121.33 0.586 . . . . 1.48 111.327 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.825 HG22 ' HG2' ' A' ' 68' ' ' ARG . 95.3 t -128.83 134.58 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 CA-C-N 115.563 -0.744 . . . . 1.04 110.864 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.68 ' HA ' HD11 ' A' ' 79' ' ' ILE . 50.1 t -71.93 93.54 1.36 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.709 -0.849 . . . . 0.38 108.709 173.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.94 -19.4 17.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.079 0.466 . . . . 2.79 110.481 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.463 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 28.2 mtp180 -74.29 -44.63 51.95 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.665 -0.698 . . . . 2.77 112.531 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.54 ' SG ' ' HG2' ' A' ' 67' ' ' LYS . 18.1 p -123.45 -17.62 6.46 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 118.205 -1.398 . . . . 0.37 112.671 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.6 1.77 43.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.545 -0.836 . . . . 0.42999999999999999 113.85 176.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.54 ' HG2' ' SG ' ' A' ' 65' ' ' CYS . 29.1 mmmt -84.33 138.96 32.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 117.587 0.693 . . . . 2.0699999999999998 110.523 178.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.825 ' HG2' HG22 ' A' ' 61' ' ' VAL . 75.8 mtt85 -107.66 158.18 17.48 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 113.83 1.048 . . . . 2.9100000000000001 113.83 -171.328 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -146.15 168.7 20.36 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.009 -1.451 . . . . 0.53000000000000003 109.228 178.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 t -114.64 -24.6 3.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 N-CA-C 108.178 -1.045 . . . . 0.70999999999999996 108.178 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.579 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 69.8 mm-40 -93.44 128.41 39.51 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-N 114.686 -1.143 . . . . 1.98 109.756 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.7 t -59.8 -41.47 91.28 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.999 -0.741 . . . . 1.52 108.999 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.8 t -59.85 -46.46 89.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.084 -0.962 . . . . 1.3899999999999999 110.472 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.579 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 85.4 mt-30 -72.64 -32.42 65.87 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 110.242 -0.281 . . . . 2.23 110.242 -173.29 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 60' ' ' TYR . 31.5 tp -62.72 -57.4 11.1 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.101 -0.5 . . . . 1.8700000000000001 110.115 175.032 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.16 -38.46 73.59 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.361 -0.836 . . . . 0.34000000000000002 110.23 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -59.29 -45.13 92.08 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.526 -0.546 . . . . 1.3300000000000001 109.526 175.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -60.95 -46.88 88.95 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.393 -0.821 . . . . 0.46000000000000002 111.326 -178.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.68 HD11 ' HA ' ' A' ' 62' ' ' CYS . 59.6 mt -80.68 -23.04 11.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.965 -0.561 . . . . 0.69999999999999996 111.794 -175.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -69.99 0.17 6.44 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 122.052 -0.405 . . . . 4.21 111.447 171.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -112.83 22.68 14.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.087 0.47 . . . . 2.8999999999999999 109.852 172.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.426 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.3 m80 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 115.837 -0.619 . . . . 0.92000000000000004 111.11 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.408 ' HA ' HD22 ' A' ' 75' ' ' LEU . 87.9 m-85 . . . . . 0 N--CA 1.448 -0.53 0 CA-C-O 121.048 0.451 . . . . 1.48 110.904 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.531 HG13 ' HB3' ' A' ' 68' ' ' ARG . 30.4 t -140.66 144.51 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 115.706 -0.679 . . . . 1.04 109.461 176.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.504 ' SG ' ' HB2' ' A' ' 64' ' ' ARG . 42.3 t -77.41 107.82 10.11 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.081 -0.509 . . . . 0.38 110.087 177.652 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.23 -19.04 65.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.396 0.617 . . . . 2.79 109.909 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.504 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 18.2 mtp180 -79.36 -35.64 40.57 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 113.067 0.766 . . . . 2.77 113.067 -176.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.5 p -140.1 3.96 2.02 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 118.302 -1.359 . . . . 0.37 113.171 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.53 -22.27 36.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.446 -0.883 . . . . 0.42999999999999999 113.79 174.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -66.87 125.6 26.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 117.489 0.644 . . . . 2.0699999999999998 111.396 -177.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.531 ' HB3' HG13 ' A' ' 61' ' ' VAL . 14.8 ptp180 -105.33 164.99 11.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.016 -0.538 . . . . 2.9100000000000001 111.143 -176.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -144.6 149.65 36.14 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 121.377 0.608 . . . . 0.53000000000000003 110.131 -173.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.0 t -77.21 -36.99 25.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 CA-C-N 114.961 -1.018 . . . . 0.70999999999999996 109.672 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -102.23 140.58 36.32 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 115.718 -0.674 . . . . 1.98 110.862 -170.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.8 p -63.25 -39.45 94.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.584 -0.734 . . . . 1.52 110.153 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.2 t -61.4 -48.29 81.91 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.728 -0.669 . . . . 1.3899999999999999 110.287 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -64.74 -38.84 92.34 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 109.1 -0.704 . . . . 2.23 109.1 -176.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 60' ' ' TYR . 63.2 tp -61.84 -60.54 3.5 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.187 -0.915 . . . . 1.8700000000000001 110.54 179.065 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.4 -43.66 68.08 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.424 -0.807 . . . . 0.34000000000000002 110.399 176.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -59.63 -42.39 92.6 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.451 -0.574 . . . . 1.3300000000000001 109.451 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.443 ' HD2' HD12 ' A' ' 79' ' ' ILE . 71.1 t60 -62.09 -53.06 60.73 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.36 -0.836 . . . . 0.46000000000000002 111.205 -177.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.506 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 2.1 mp -69.76 -33.01 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 116.412 -0.358 . . . . 0.69999999999999996 111.134 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -62.21 -24.44 67.22 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.967 0.413 . . . . 4.21 111.112 174.049 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -83.47 -4.61 58.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.908 -0.587 . . . . 2.8999999999999999 110.419 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.506 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 5.0 m-70 . . . . . 0 C--N 1.326 -0.429 0 CA-C-O 121.034 0.445 . . . . 0.92000000000000004 111.587 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.492 ' HB2' ' O ' ' A' ' 69' ' ' PHE . 75.8 m-85 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 121.681 0.753 . . . . 1.48 111.741 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.647 HG22 ' HB3' ' A' ' 68' ' ' ARG . 38.4 t -128.01 139.96 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 CA-C-N 115.323 -0.853 . . . . 1.04 109.812 177.299 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.41 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 52.4 t -72.0 101.1 2.62 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.775 -0.824 . . . . 0.38 108.775 175.077 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -59.81 -16.58 29.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.224 0.535 . . . . 2.79 110.607 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -87.56 -35.72 17.96 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 115.83 -0.623 . . . . 2.77 112.541 -173.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.1 p -129.85 4.11 4.94 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 118.404 -1.318 . . . . 0.37 112.101 177.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.5 -15.13 57.84 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 120.907 -0.663 . . . . 0.42999999999999999 113.909 172.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -78.57 133.92 37.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.432 0.616 . . . . 2.0699999999999998 110.853 -177.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.647 ' HB3' HG22 ' A' ' 61' ' ' VAL . 16.8 ptt180 -113.73 168.97 9.33 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.481 0.658 . . . . 2.9100000000000001 112.493 -173.61 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.492 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 15.1 m-85 -147.48 153.4 39.49 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 114.489 -1.232 . . . . 0.53000000000000003 109.017 -177.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.2 -33.57 6.59 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 CA-C-N 115.35 -0.841 . . . . 0.70999999999999996 109.17 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.557 HE21 ' HG3' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -89.59 127.46 35.9 Favored 'General case' 0 N--CA 1.414 -2.23 0 CA-C-N 115.619 -0.719 . . . . 1.98 109.414 -177.03 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.9 t -63.77 -36.67 84.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.73 -0.668 . . . . 1.52 109.815 -178.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.0 t -65.94 -39.0 90.08 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.338 -0.846 . . . . 1.3899999999999999 110.072 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.557 ' HG3' HE21 ' A' ' 71' ' ' GLN . 85.3 mm-40 -78.95 -23.28 44.69 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.011 0.434 . . . . 2.23 109.906 -174.665 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.431 HD22 ' HB3' ' A' ' 60' ' ' TYR . 24.0 tp -63.9 -54.13 39.58 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.588 -0.733 . . . . 1.8700000000000001 109.953 172.101 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.53 86.86 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.066 -0.97 . . . . 0.34000000000000002 109.94 173.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.473 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 47.0 t30 -56.67 -45.18 81.86 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.545 -0.539 . . . . 1.3300000000000001 109.545 175.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 79.5 t60 -57.97 -53.05 62.66 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.623 -0.717 . . . . 0.46000000000000002 110.979 178.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 47.0 mt -76.48 -22.94 15.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.882 -0.599 . . . . 0.69999999999999996 112.02 -174.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 80' ' ' ARG . 1.4 mmp_? -63.07 -17.96 62.84 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 121.927 -0.483 . . . . 4.21 111.402 172.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -99.18 18.96 16.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.186 0.517 . . . . 2.8999999999999999 110.524 177.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.507 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 115.801 -0.636 . . . . 0.92000000000000004 110.522 175.76 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.532 ' HB2' ' O ' ' A' ' 69' ' ' PHE . 41.0 m-85 . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 121.179 0.514 . . . . 1.48 110.248 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.683 ' HB ' ' HG2' ' A' ' 68' ' ' ARG . 7.6 p -123.15 139.97 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 CA-C-N 115.862 -0.608 . . . . 1.04 110.096 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.699 ' SG ' HG12 ' A' ' 79' ' ' ILE . 33.7 t -71.73 95.57 1.5 Allowed 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.556 -0.905 . . . . 0.38 108.556 173.073 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.35 -10.1 10.21 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.067 0.461 . . . . 2.79 110.924 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.619 ' HD3' HG23 ' A' ' 79' ' ' ILE . 29.6 mtp180 -81.44 -35.06 31.07 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.996 -0.547 . . . . 2.77 112.465 177.116 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 23.4 p -129.96 -4.07 4.55 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 118.741 -1.184 . . . . 0.37 112.981 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.05 -8.79 77.58 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.794 -0.717 . . . . 0.42999999999999999 113.762 175.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -88.49 130.08 35.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 117.415 0.607 . . . . 2.0699999999999998 111.364 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.683 ' HG2' ' HB ' ' A' ' 61' ' ' VAL . 21.2 mtm180 -91.45 163.42 14.18 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 113.679 0.992 . . . . 2.9100000000000001 113.679 -175.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.532 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 15.2 m-85 -143.09 147.26 34.73 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 113.842 -1.526 . . . . 0.53000000000000003 108.856 177.425 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.9 t -84.38 -32.5 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 CA-C-N 114.975 -1.011 . . . . 0.70999999999999996 110.256 -176.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.497 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 47.9 mt-30 -97.63 131.63 44.02 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 116.226 -0.443 . . . . 1.98 110.23 -176.639 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 38.1 t -58.13 -42.46 85.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.194 0.521 . . . . 1.52 109.739 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 m -60.37 -46.04 91.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.305 -0.862 . . . . 1.3899999999999999 110.575 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.497 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 29.9 mm-40 -75.66 -25.77 57.11 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.476 -0.329 . . . . 2.23 110.293 -174.014 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 60' ' ' TYR . 34.3 tp -63.2 -57.22 11.24 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.285 0.564 . . . . 1.8700000000000001 110.008 173.106 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.59 -38.82 75.53 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.15 -0.932 . . . . 0.34000000000000002 109.914 174.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -56.87 -46.82 81.58 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.482 -0.562 . . . . 1.3300000000000001 109.482 175.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -60.31 -52.29 65.88 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.157 -0.929 . . . . 0.46000000000000002 110.796 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.699 HG12 ' SG ' ' A' ' 62' ' ' CYS . 15.1 mt -71.29 -27.79 30.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.195 -0.457 . . . . 0.69999999999999996 111.817 -176.233 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -62.85 -20.57 65.22 Favored 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 122.072 -0.393 . . . . 4.21 111.101 172.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -86.85 2.97 47.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.085 0.469 . . . . 2.8999999999999999 110.575 177.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.489 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.7 m-70 . . . . . 0 C--N 1.327 -0.382 0 CA-C-O 121.366 0.603 . . . . 0.92000000000000004 110.237 175.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.555 ' HB3' HD22 ' A' ' 75' ' ' LEU . 87.4 m-85 . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 121.136 0.493 . . . . 1.48 110.744 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.694 ' HB ' ' HG2' ' A' ' 68' ' ' ARG . 7.5 p -128.72 142.74 43.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.364 -0.834 . . . . 1.04 109.761 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.816 ' HA ' HD11 ' A' ' 79' ' ' ILE . 39.3 t -68.72 104.04 1.9 Allowed 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.328 -0.619 . . . . 0.38 109.328 175.306 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -48.88 -31.68 7.63 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 123.923 0.764 . . . . 2.79 111.478 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.419 ' HB2' ' CD2' ' A' ' 82' ' ' HIS . 82.0 mtt180 -82.36 -47.86 11.82 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 113.048 0.759 . . . . 2.77 113.048 -174.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.6 p -114.76 -4.49 12.7 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 118.754 -1.178 . . . . 0.37 112.093 -173.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.69 -1.53 85.55 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.852 -0.689 . . . . 0.42999999999999999 113.968 173.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -82.7 120.45 25.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.649 0.724 . . . . 2.0699999999999998 111.538 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.694 ' HG2' ' HB ' ' A' ' 61' ' ' VAL . 75.0 mtm180 -79.67 158.41 27.01 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.842 -0.617 . . . . 2.9100000000000001 112.596 178.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -141.78 147.81 37.9 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 114.708 -1.133 . . . . 0.53000000000000003 110.137 -177.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.1 t -81.14 -33.52 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 CA-C-N 114.006 -1.452 . . . . 0.70999999999999996 110.153 -178.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.608 ' HB2' ' CB ' ' A' ' 74' ' ' GLN . 16.5 mm-40 -97.19 128.2 43.86 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-N 115.846 -0.615 . . . . 1.98 110.003 -175.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.9 m -59.63 -44.67 93.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.805 -0.634 . . . . 1.52 109.722 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.3 t -66.94 -36.51 82.39 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.336 -0.847 . . . . 1.3899999999999999 110.38 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.608 ' CB ' ' HB2' ' A' ' 71' ' ' GLN . 6.0 tp-100 -74.77 -29.55 61.16 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.101 -0.703 . . . . 2.23 109.101 -174.244 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' A' ' 60' ' ' TYR . 25.0 tp -60.97 -59.74 4.89 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.698 -0.683 . . . . 1.8700000000000001 110.238 173.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.64 -39.46 70.89 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.026 -0.988 . . . . 0.34000000000000002 110.166 176.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -62.14 -43.35 99.03 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.311 -0.626 . . . . 1.3300000000000001 109.311 177.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.451 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 71.6 t60 -58.78 -51.2 70.98 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.429 -0.805 . . . . 0.46000000000000002 110.39 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.816 HD11 ' HA ' ' A' ' 62' ' ' CYS . 10.6 mt -71.36 -33.29 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.127 -0.488 . . . . 0.69999999999999996 111.737 -177.326 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -62.21 -19.79 63.51 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 111.739 0.274 . . . . 4.21 111.739 174.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -89.7 5.82 44.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.915 0.388 . . . . 2.8999999999999999 110.782 175.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.54 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 2.0 m-70 . . . . . 0 C--N 1.327 -0.387 0 N-CA-C 109.443 -0.577 . . . . 0.92000000000000004 109.443 172.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 N--CA 1.451 -0.416 0 CA-C-O 121.593 0.711 . . . . 1.48 111.345 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.519 HG22 ' HB3' ' A' ' 68' ' ' ARG . 43.6 t -126.13 146.65 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-N 114.769 -1.105 . . . . 1.04 109.745 178.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.798 ' HA ' HD11 ' A' ' 79' ' ' ILE . 47.8 t -69.05 94.71 0.67 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.667 -0.864 . . . . 0.38 108.667 174.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -56.64 -20.01 19.13 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.562 0.696 . . . . 2.79 110.164 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -87.54 -26.15 23.3 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.137 -0.938 . . . . 2.77 113.193 -172.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.1 p -134.7 -5.38 2.5 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 117.96 -1.496 . . . . 0.37 112.86 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.69 -5.27 66.78 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.817 -0.706 . . . . 0.42999999999999999 114.143 173.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -89.1 145.84 25.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.569 0.684 . . . . 2.0699999999999998 110.654 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.519 ' HB3' HG22 ' A' ' 61' ' ' VAL . 12.2 ptm180 -123.9 172.07 9.2 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.858 0.688 . . . . 2.9100000000000001 112.858 -171.282 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.524 ' HB2' HD23 ' A' ' 75' ' ' LEU . 13.5 m-85 -141.89 170.72 15.19 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 115.022 -0.99 . . . . 0.53000000000000003 109.037 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -105.53 -21.82 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.292 0 N-CA-C 107.464 -1.31 . . . . 0.70999999999999996 107.464 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.567 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 11.4 mm-40 -102.81 128.09 49.71 Favored 'General case' 0 N--CA 1.424 -1.732 0 CA-C-N 113.902 -1.499 . . . . 1.98 108.85 -178.239 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.6 t -60.46 -43.18 97.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.237 0.541 . . . . 1.52 109.81 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.2 t -67.92 -32.37 72.79 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.585 -0.734 . . . . 1.3899999999999999 110.661 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.567 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 16.9 mt-30 -79.26 -27.77 42.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.381 -0.528 . . . . 2.23 109.915 -175.236 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.543 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 1.3 tm? -72.31 -39.77 68.0 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.241 -1.022 . . . . 1.8700000000000001 108.241 176.058 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.13 -38.06 84.92 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.69 -0.485 . . . . 0.34000000000000002 109.69 174.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -60.96 -41.62 96.68 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.233 -0.654 . . . . 1.3300000000000001 109.233 175.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.543 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 30.3 t60 -55.87 -52.84 62.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.835 -1.075 . . . . 0.46000000000000002 111.242 177.364 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.798 HD11 ' HA ' ' A' ' 62' ' ' CYS . 53.6 mt -76.1 -27.93 18.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.098 -0.501 . . . . 0.69999999999999996 112.063 -177.167 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -69.11 -19.8 64.05 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 120.987 0.422 . . . . 4.21 110.742 171.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -79.4 -6.75 57.52 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.501 0.667 . . . . 2.8999999999999999 109.782 172.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.591 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 21.2 m80 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.578 -0.737 . . . . 0.92000000000000004 110.106 173.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 45.6 mmtm . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.738 0.304 . . . . 5.3499999999999996 110.534 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 4.4 Cg_exo -75.62 55.74 4.38 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 123.791 2.994 . . . . 1.6200000000000001 111.995 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.537 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 51.2 m-85 -125.93 96.62 4.81 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.561 -0.745 . . . . 1.48 110.293 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.747 HG22 ' HB3' ' A' ' 68' ' ' ARG . 21.4 t -125.75 144.29 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 CA-C-N 115.7 -0.682 . . . . 1.04 110.022 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.891 ' HA ' HD11 ' A' ' 79' ' ' ILE . 53.9 t -68.78 101.11 1.26 Allowed 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.614 -0.721 . . . . 0.38 110.226 177.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -56.73 -23.84 45.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.37 0.605 . . . . 2.79 110.316 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -84.9 -27.01 26.93 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 113.391 0.886 . . . . 2.77 113.391 -172.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 12.4 p -139.54 -4.1 1.46 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 118.115 -1.434 . . . . 0.37 113.631 175.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.62 12.33 61.07 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 120.276 -0.964 . . . . 0.42999999999999999 114.403 173.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -99.78 137.63 37.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 117.664 0.732 . . . . 2.0699999999999998 111.191 175.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.747 ' HB3' HG22 ' A' ' 61' ' ' VAL . 32.7 ptt180 -113.93 167.85 10.3 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.167 -0.47 . . . . 2.9100000000000001 111.99 -176.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.503 ' HB2' HD23 ' A' ' 75' ' ' LEU . 12.4 m-85 -142.25 147.61 36.75 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-O 121.899 0.857 . . . . 0.53000000000000003 111.072 -176.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 66.9 t -69.8 -32.19 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.265 0 CA-C-N 113.678 -1.601 . . . . 0.70999999999999996 110.364 176.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.613 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 14.3 mm-40 -105.03 128.9 53.52 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 116.121 -0.49 . . . . 1.98 110.094 -178.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.2 m -61.08 -37.23 81.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.854 -0.612 . . . . 1.52 109.728 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.9 t -60.85 -41.86 96.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.189 -0.914 . . . . 1.3899999999999999 110.737 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.613 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 0.5 OUTLIER -75.88 -30.76 58.96 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 109.651 -0.499 . . . . 2.23 109.651 -174.391 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.537 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 1.1 tm? -70.0 -41.97 73.67 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.88 -0.785 . . . . 1.8700000000000001 108.88 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.97 -37.21 81.26 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.815 -0.439 . . . . 0.34000000000000002 109.815 175.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -61.32 -41.61 97.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.585 0.707 . . . . 1.3300000000000001 109.246 174.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.513 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 55.0 t60 -57.16 -53.4 58.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.865 -1.061 . . . . 0.46000000000000002 111.011 177.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.891 HD11 ' HA ' ' A' ' 62' ' ' CYS . 67.2 mt -76.46 -22.68 15.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.088 -0.506 . . . . 0.69999999999999996 111.927 -176.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.58 -28.56 60.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 120.91 0.386 . . . . 4.21 110.932 168.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -82.85 -1.84 53.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 2.8999999999999999 111.105 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -105.17 -0.71 26.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.148 -0.478 . . . . 0.92000000000000004 109.943 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 37.8 t70 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.522 -0.751 . . . . 3.4300000000000002 110.058 -176.505 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.408 ' HB3' ' HD1' ' A' ' 60' ' ' TYR . 12.1 mptt . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.67 0.271 . . . . 5.3499999999999996 110.331 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -86.07 35.13 0.48 Allowed 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 123.213 2.608 . . . . 1.6200000000000001 112.349 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.722 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 20.9 m-85 -85.15 101.0 12.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.512 0.672 . . . . 1.48 111.062 -177.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.622 HG22 ' HG2' ' A' ' 68' ' ' ARG . 29.0 t -120.59 143.18 33.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 CA-C-N 115.044 -0.98 . . . . 1.04 109.953 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.753 ' HA ' HD11 ' A' ' 79' ' ' ILE . 49.2 t -81.32 104.9 12.1 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.202 -0.666 . . . . 0.38 109.202 173.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -65.25 -20.55 66.47 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.438 0.637 . . . . 2.79 109.771 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -76.91 -32.95 57.76 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.393 -0.821 . . . . 2.77 112.539 -175.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.0 p -139.07 10.25 2.57 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 118.579 -1.248 . . . . 0.37 112.699 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.73 -16.66 24.94 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 114.184 0.433 . . . . 0.42999999999999999 114.184 171.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -81.27 137.79 35.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.227 0.513 . . . . 2.0699999999999998 112.031 -173.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.622 ' HG2' HG22 ' A' ' 61' ' ' VAL . 19.1 mtp180 -102.23 172.29 6.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 113.854 1.057 . . . . 2.9100000000000001 113.854 -173.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.623 ' HE2' ' ND1' ' A' ' 78' ' ' HIS . 16.8 m-85 -146.47 143.31 28.89 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 113.907 -1.497 . . . . 0.53000000000000003 109.42 172.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.407 ' O ' ' HD3' ' A' ' 58' ' ' LYS . 6.8 t -75.22 -32.86 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.346 0 CA-C-N 114.38 -1.282 . . . . 0.70999999999999996 109.692 179.103 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -96.62 129.13 44.06 Favored 'General case' 0 N--CA 1.423 -1.823 0 CA-C-N 116.019 -0.537 . . . . 1.98 110.198 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 p -55.61 -43.76 76.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.378 -0.828 . . . . 1.52 110.467 178.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.8 m -59.3 -42.33 91.09 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.252 -0.886 . . . . 1.3899999999999999 111.029 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -75.25 -32.77 61.19 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 110.147 -0.316 . . . . 2.23 110.147 -172.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.722 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 1.6 tm? -71.73 -40.31 69.51 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.024 -0.732 . . . . 1.8700000000000001 109.024 178.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.24 -36.27 81.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.735 -0.469 . . . . 0.34000000000000002 109.735 175.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -63.07 -41.78 99.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.548 0.69 . . . . 1.3300000000000001 109.244 174.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.623 ' ND1' ' HE2' ' A' ' 69' ' ' PHE . 43.3 t60 -56.66 -46.95 80.78 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.582 -1.19 . . . . 0.46000000000000002 111.445 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.753 HD11 ' HA ' ' A' ' 62' ' ' CYS . 62.4 mt -80.57 -30.35 12.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 112.185 0.439 . . . . 0.69999999999999996 112.185 -177.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -60.77 -25.02 66.21 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.316 0.579 . . . . 4.21 110.573 167.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.426 ' HB3' ' O ' ' A' ' 78' ' ' HIS . 8.4 t-160 -76.59 -7.23 54.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.404 -0.817 . . . . 2.8999999999999999 109.736 176.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 9.8 m-70 -97.8 -9.42 26.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.003 -0.544 . . . . 0.92000000000000004 110.786 177.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.502 -0.761 . . . . 3.4300000000000002 110.442 -179.069 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.519 ' HD2' ' HD2' ' A' ' 68' ' ' ARG . 63.0 mttm . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 109.792 -0.447 . . . . 5.3499999999999996 109.792 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 2.9 Cg_exo -76.4 -24.6 10.53 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.143 2.562 . . . . 1.6200000000000001 113.967 -169.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.792 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 94.2 m-85 -129.0 122.23 29.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.381 0.61 . . . . 1.48 111.888 -174.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.564 HG13 ' HB3' ' A' ' 68' ' ' ARG . 59.0 t -133.64 142.16 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 CA-C-N 115.401 -0.818 . . . . 1.04 109.545 178.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.69 ' HA ' HD11 ' A' ' 79' ' ' ILE . 53.2 t -71.46 100.55 2.23 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.371 -0.603 . . . . 0.38 109.371 175.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -51.87 -28.85 17.46 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.375 0.607 . . . . 2.79 110.568 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -80.01 -36.8 35.34 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.07 -0.968 . . . . 2.77 113.12 -170.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.521 ' SG ' ' HD2' ' A' ' 67' ' ' LYS . 14.0 p -134.38 7.9 3.64 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 118.607 -1.237 . . . . 0.37 112.643 178.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.81 -19.24 16.8 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 121.039 -0.601 . . . . 0.42999999999999999 113.86 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.521 ' HD2' ' SG ' ' A' ' 65' ' ' CYS . 55.9 mttm -73.21 128.4 35.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.215 0.507 . . . . 2.0699999999999998 110.271 -177.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.564 ' HB3' HG13 ' A' ' 61' ' ' VAL . 31.5 ptt180 -115.15 168.92 9.51 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.46 0.648 . . . . 2.9100000000000001 112.676 -170.178 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.513 ' HE2' ' ND1' ' A' ' 78' ' ' HIS . 48.5 m-85 -149.07 143.46 26.06 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 114.618 -1.174 . . . . 0.53000000000000003 108.877 -177.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.06 -30.4 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 CA-C-N 114.945 -1.025 . . . . 0.70999999999999996 110.319 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -100.09 129.23 46.11 Favored 'General case' 0 N--CA 1.424 -1.738 0 CA-C-N 116.23 -0.441 . . . . 1.98 110.791 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.429 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 33.1 t -56.82 -40.0 75.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.217 -0.901 . . . . 1.52 110.444 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.8 t -62.76 -40.08 96.18 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.774 -0.648 . . . . 1.3899999999999999 110.276 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -79.35 -30.13 42.51 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.828 0.347 . . . . 2.23 110.214 -175.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.792 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 1.1 tm? -69.94 -40.62 75.36 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.885 -0.783 . . . . 1.8700000000000001 108.885 175.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 80' ' ' ARG . . . -68.15 -38.57 82.28 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 109.49 -0.559 . . . . 0.34000000000000002 109.49 175.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -57.75 -42.3 83.68 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.547 0.689 . . . . 1.3300000000000001 109.155 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.521 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 55.6 t60 -58.15 -53.69 55.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.679 -1.146 . . . . 0.46000000000000002 111.61 177.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.69 HD11 ' HA ' ' A' ' 62' ' ' CYS . 64.7 mt -75.6 -21.6 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.848 -0.615 . . . . 0.69999999999999996 111.774 -176.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 72.4 mtt180 -61.67 -16.86 52.49 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.935 0.398 . . . . 4.21 111.909 171.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -90.18 -2.67 58.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.362 0.601 . . . . 2.8999999999999999 110.037 175.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.426 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 10.1 m-70 -92.13 -12.99 31.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.175 -0.466 . . . . 0.92000000000000004 111.024 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 C--O 1.244 0.807 0 CA-C-O 119.004 -0.522 . . . . 3.4300000000000002 110.121 178.175 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.582 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 75.8 mmtt . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.583 0.23 . . . . 5.3499999999999996 110.554 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -87.18 46.12 1.36 Allowed 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 123.316 2.677 . . . . 1.6200000000000001 112.348 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.626 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 13.3 m-85 -89.32 127.06 35.76 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.997 -0.547 . . . . 1.48 111.074 -175.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.837 HG22 ' HG2' ' A' ' 68' ' ' ARG . 66.7 t -124.42 136.79 59.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.383 -0.826 . . . . 1.04 110.214 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.629 ' HA ' HD11 ' A' ' 79' ' ' ILE . 31.4 t -67.2 104.18 1.4 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.297 -0.411 . . . . 0.38 110.111 176.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -55.03 -28.01 48.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.963 -0.562 . . . . 2.79 111.083 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.57 ' HD3' HG23 ' A' ' 79' ' ' ILE . 30.1 mtp180 -78.75 -38.17 39.38 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 113.431 0.9 . . . . 2.77 113.431 -173.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.1 p -133.34 -4.43 3.01 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 118.093 -1.443 . . . . 0.37 113.036 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.2 -10.32 65.47 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.528 -0.844 . . . . 0.42999999999999999 114.197 173.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -75.97 140.48 42.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 117.679 0.74 . . . . 2.0699999999999998 111.359 -177.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.837 ' HG2' HG22 ' A' ' 61' ' ' VAL . 53.4 mtt180 -103.05 160.87 14.25 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 113.157 0.799 . . . . 2.9100000000000001 113.157 -174.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.577 ' HE2' ' ND1' ' A' ' 78' ' ' HIS . 38.8 m-85 -149.46 139.42 21.98 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 114.299 -1.319 . . . . 0.53000000000000003 109.934 176.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.5 t -73.14 -30.52 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 CA-C-N 114.044 -1.435 . . . . 0.70999999999999996 110.493 -177.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.402 ' HB2' ' HG2' ' A' ' 74' ' ' GLN . 18.4 mt-30 -101.65 129.39 47.77 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-N 116.271 -0.422 . . . . 1.98 110.091 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.5 m -55.53 -40.78 72.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.278 -0.874 . . . . 1.52 110.352 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.7 p -65.99 -35.5 80.75 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.52 -0.764 . . . . 1.3899999999999999 111.27 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.402 ' HG2' ' HB2' ' A' ' 71' ' ' GLN . 88.4 mm-40 -76.4 -31.84 58.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.88 -0.415 . . . . 2.23 109.88 -176.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.626 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 1.2 tm? -69.54 -40.78 76.67 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.613 -0.884 . . . . 1.8700000000000001 108.613 175.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.93 -38.75 86.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.806 -0.634 . . . . 0.34000000000000002 110.037 175.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -60.62 -42.66 97.32 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.467 -0.568 . . . . 1.3300000000000001 109.467 174.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.577 ' ND1' ' HE2' ' A' ' 69' ' ' PHE . 65.5 t60 -54.27 -52.74 60.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.063 -0.972 . . . . 0.46000000000000002 111.151 177.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.629 HD11 ' HA ' ' A' ' 62' ' ' CYS . 50.4 mt -76.2 -31.96 21.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.907 -0.588 . . . . 0.69999999999999996 112.107 -177.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 29.9 mtm180 -68.08 -12.15 60.33 Favored 'General case' 0 N--CA 1.444 -0.767 0 O-C-N 122.022 -0.423 . . . . 4.21 111.357 173.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -96.3 2.54 52.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.589 -0.278 . . . . 2.8999999999999999 110.785 173.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.531 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.6 m-70 -80.2 70.1 6.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.953 0.406 . . . . 0.92000000000000004 110.683 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.507 -0.759 . . . . 3.4300000000000002 109.851 177.124 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.646 ' HG2' HG22 ' A' ' 70' ' ' VAL . 60.7 mttp . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 109.35 -0.611 . . . . 5.3499999999999996 109.35 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 8.9 Cg_exo -71.13 -47.08 0.58 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.239 2.626 . . . . 1.6200000000000001 113.241 -169.013 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.753 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 42.5 m-85 -75.2 111.06 10.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.953 0.406 . . . . 1.48 111.284 -176.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.616 HG22 ' HB3' ' A' ' 68' ' ' ARG . 46.3 t -121.39 129.97 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.554 -0.748 . . . . 1.04 110.054 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 31.6 t -68.47 108.58 3.34 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.111 -0.495 . . . . 0.38 109.818 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.435 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -63.23 -24.57 67.93 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.336 0.589 . . . . 2.79 109.708 178.628 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -85.59 -25.09 26.89 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 113.427 0.899 . . . . 2.77 113.427 -170.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.7 p -140.16 12.58 2.41 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 118.411 -1.316 . . . . 0.37 112.683 171.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.08 -4.54 46.57 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 114.832 0.693 . . . . 0.42999999999999999 114.832 169.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.509 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 45.4 mttp -89.42 136.66 32.9 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.655 0.727 . . . . 2.0699999999999998 110.167 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.616 ' HB3' HG22 ' A' ' 61' ' ' VAL . 12.3 ptt180 -121.21 168.29 11.76 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 112.986 0.736 . . . . 2.9100000000000001 112.986 -173.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.444 ' HD2' HD22 ' A' ' 75' ' ' LEU . 55.6 m-85 -148.99 149.64 31.51 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.025 -0.989 . . . . 0.53000000000000003 109.57 -175.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.646 HG22 ' HG2' ' A' ' 58' ' ' LYS . 2.3 t -70.64 -33.32 52.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 114.855 -1.066 . . . . 0.70999999999999996 109.306 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -98.06 128.71 44.75 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-N 115.028 -0.987 . . . . 1.98 109.991 -172.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 p -57.69 -41.66 82.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.889 -0.596 . . . . 1.52 109.99 175.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.6 m -63.42 -40.03 96.09 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.357 -0.838 . . . . 1.3899999999999999 110.935 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.406 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 7.0 tp60 -74.13 -33.26 63.49 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.278 -0.638 . . . . 2.23 109.278 -175.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.753 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 1.3 tm? -71.38 -39.96 70.9 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.121 -0.696 . . . . 1.8700000000000001 109.121 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.09 -23.59 51.86 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.422 -0.511 . . . . 0.34000000000000002 110.149 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -69.37 -36.58 76.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.431 -0.952 . . . . 1.3300000000000001 108.431 169.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.657 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 36.1 t60 -61.7 -39.59 92.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.849 -1.069 . . . . 0.46000000000000002 110.488 171.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.671 HG12 ' O ' ' A' ' 75' ' ' LEU . 49.7 mm -70.85 -39.39 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-O 121.072 0.463 . . . . 0.69999999999999996 110.362 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 80' ' ' ARG . 25.6 mmt180 -63.75 -20.76 66.0 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 120.906 0.384 . . . . 4.21 111.502 173.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -76.76 -7.36 55.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.27 0.557 . . . . 2.8999999999999999 109.603 175.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.595 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 10.2 m-70 -92.18 6.19 47.58 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.633 -0.712 . . . . 0.92000000000000004 110.86 176.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.6 t70 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.747 -0.644 . . . . 3.4300000000000002 109.872 -179.361 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.56 ' HG3' HG13 ' A' ' 70' ' ' VAL . 73.3 mmtt . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 109.752 -0.462 . . . . 5.3499999999999996 109.752 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -75.58 48.98 2.28 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.797 2.331 . . . . 1.6200000000000001 112.539 -178.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.528 ' HB3' HD22 ' A' ' 75' ' ' LEU . 77.1 m-85 -138.83 89.35 2.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.386 0.612 . . . . 1.48 111.266 -175.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.616 ' HA ' ' HA ' ' A' ' 68' ' ' ARG . 35.2 t -127.67 142.06 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-N 115.849 -0.614 . . . . 1.04 109.546 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 64' ' ' ARG . 49.3 t -73.37 91.43 1.74 Allowed 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.598 -0.89 . . . . 0.38 108.598 174.243 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -58.73 -20.95 53.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.393 0.616 . . . . 2.79 109.518 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.547 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 30.4 mtp180 -68.03 -40.6 82.88 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.087 -0.96 . . . . 2.77 112.761 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.1 p -132.51 -4.84 3.32 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 118.365 -1.334 . . . . 0.37 113.101 178.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.24 -23.49 31.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.937 -0.649 . . . . 0.42999999999999999 113.716 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -69.1 120.12 14.45 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 117.547 0.674 . . . . 2.0699999999999998 111.729 -176.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.616 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 15.8 ptp180 -97.75 161.78 13.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.071 -0.513 . . . . 2.9100000000000001 111.582 -178.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.412 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 79.2 m-85 -148.28 140.92 24.5 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 115.47 -0.786 . . . . 0.53000000000000003 109.418 -177.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.56 HG13 ' HG3' ' A' ' 58' ' ' LYS . 71.6 t -77.88 -31.74 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 CA-C-N 114.983 -1.008 . . . . 0.70999999999999996 110.289 -178.132 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.498 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 34.5 mt-30 -96.53 129.3 43.93 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 115.872 -0.604 . . . . 1.98 109.962 -178.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.7 t -59.16 -40.48 85.73 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.292 -0.633 . . . . 1.52 109.292 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.7 t -58.91 -46.49 87.79 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.573 -0.74 . . . . 1.3899999999999999 110.348 176.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.498 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 4.9 tp-100 -69.27 -38.73 78.52 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.133 -0.691 . . . . 2.23 109.133 -173.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 60' ' ' TYR . 52.2 tp -63.21 -57.29 10.97 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.226 -0.897 . . . . 1.8700000000000001 110.426 176.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.566 ' O ' ' HB3' ' A' ' 80' ' ' ARG . . . -54.13 -39.77 66.77 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.791 -1.095 . . . . 0.34000000000000002 110.279 177.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -55.11 -50.52 69.0 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.326 0.584 . . . . 1.3300000000000001 109.575 174.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -62.98 -47.4 83.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.243 -0.889 . . . . 0.46000000000000002 110.636 -176.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.506 HD11 ' HA ' ' A' ' 62' ' ' CYS . 55.6 mt -76.56 -27.7 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 115.793 -0.64 . . . . 0.69999999999999996 112.159 -174.089 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.566 ' HB3' ' O ' ' A' ' 76' ' ' ALA . 1.1 ppt_? -63.91 -20.49 65.88 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 120.992 0.425 . . . . 4.21 110.491 179.013 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -90.05 -8.16 52.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 2.8999999999999999 110.269 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.487 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 2.4 m-70 -76.4 -32.92 58.82 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.551 0.691 . . . . 0.92000000000000004 109.928 175.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 . . . . . 0 C--N 1.311 -1.069 0 CA-C-N 114.454 -1.248 . . . . 3.4300000000000002 110.188 -178.242 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.567 ' HE2' HG13 ' A' ' 70' ' ' VAL . 26.6 mtpp . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.283 -0.636 . . . . 5.3499999999999996 109.283 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 34.1 Cg_exo -60.5 -17.9 50.91 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.516 2.81 . . . . 1.6200000000000001 113.951 -170.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -82.8 89.58 6.82 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.905 0.859 . . . . 1.48 111.365 -177.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.633 ' HA ' ' HA ' ' A' ' 68' ' ' ARG . 6.5 p -119.91 142.84 33.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 114.74 -1.118 . . . . 1.04 109.178 176.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.504 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 9.5 t -63.18 107.88 1.15 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.825 -0.435 . . . . 0.38 109.825 175.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -57.98 -22.29 48.64 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.516 -0.766 . . . . 2.79 111.369 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -86.1 -44.55 12.17 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 113.135 0.791 . . . . 2.77 113.135 -174.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.5 p -129.44 6.25 5.25 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 118.576 -1.25 . . . . 0.37 112.737 -176.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.74 -6.59 83.21 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.758 -0.734 . . . . 0.42999999999999999 114.663 169.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -80.75 122.34 27.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.909 0.855 . . . . 2.0699999999999998 111.754 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.633 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 16.1 mtm180 -80.72 160.28 24.99 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.676 0.991 . . . . 2.9100000000000001 113.676 -175.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.433 ' HE1' ' ND1' ' A' ' 78' ' ' HIS . 11.4 m-85 -147.49 144.5 28.62 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 114.171 -1.377 . . . . 0.53000000000000003 109.726 176.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.567 HG13 ' HE2' ' A' ' 58' ' ' LYS . 49.1 t -76.01 -33.12 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.298 0 CA-C-N 114.345 -1.298 . . . . 0.70999999999999996 110.586 -177.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -109.19 141.01 42.05 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-O 121.069 0.461 . . . . 1.98 111.125 -176.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.5 t -64.99 -36.6 84.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.12 -0.945 . . . . 1.52 109.956 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 p -62.56 -47.34 84.29 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.485 -0.78 . . . . 1.3899999999999999 110.447 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.529 ' HA ' ' HB3' ' A' ' 77' ' ' ASN . 97.0 mt-30 -72.68 -26.7 61.71 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.058 -0.519 . . . . 2.23 109.824 -176.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.603 ' O ' HG12 ' A' ' 79' ' ' ILE . 20.8 tp -62.42 -58.26 8.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.501 -0.772 . . . . 1.8700000000000001 110.406 174.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -67.67 -25.05 65.51 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 116.228 -0.442 . . . . 0.34000000000000002 110.34 176.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.529 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 25.6 t-20 -60.73 -43.48 97.83 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.675 -0.861 . . . . 1.3300000000000001 108.675 170.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.58 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 43.7 t60 -62.34 -42.55 99.48 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.897 -1.047 . . . . 0.46000000000000002 110.567 175.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.603 HG12 ' O ' ' A' ' 75' ' ' LEU . 42.3 mm -67.47 -38.93 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.788 -0.642 . . . . 0.69999999999999996 110.931 -179.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 76' ' ' ALA . 12.6 mmm180 -56.69 -25.72 54.77 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 112.562 0.578 . . . . 4.21 112.562 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -87.24 -0.99 57.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.088 0.47 . . . . 2.8999999999999999 110.593 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 5.7 m-70 -85.27 -38.13 19.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.452 0.644 . . . . 0.92000000000000004 110.907 177.115 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 C--N 1.309 -1.156 0 CA-C-N 114.894 -1.048 . . . . 3.4300000000000002 110.681 -171.78 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 109.83 -0.433 . . . . 5.3499999999999996 109.83 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -80.71 36.7 0.63 Allowed 'Trans proline' 0 CA--C 1.529 0.228 0 C-N-CA 123.083 2.522 . . . . 1.6200000000000001 113.09 -175.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.524 ' CE1' ' HB3' ' A' ' 72' ' ' SER . 84.5 m-85 -139.28 88.98 2.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.598 0.713 . . . . 1.48 110.45 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.895 HG22 ' HG2' ' A' ' 68' ' ' ARG . 75.0 t -138.4 140.03 40.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.173 -0.921 . . . . 1.04 108.971 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 26.1 t -70.98 103.47 2.68 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.658 -0.867 . . . . 0.38 108.658 173.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -7.09 46.26 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.459 0.647 . . . . 2.79 109.697 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -92.56 -23.65 18.99 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.428 -0.806 . . . . 2.77 112.289 -174.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.4 p -138.25 -2.13 1.86 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 118.665 -1.214 . . . . 0.37 112.632 168.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.6 14.64 59.53 Favored Glycine 0 CA--C 1.517 0.214 0 N-CA-C 114.701 0.64 . . . . 0.42999999999999999 114.701 170.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.606 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 29.9 mmmt -99.95 142.86 30.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 117.876 0.838 . . . . 2.0699999999999998 111.494 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.895 ' HG2' HG22 ' A' ' 61' ' ' VAL . 96.6 mtt180 -94.92 156.79 16.19 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.732 1.012 . . . . 2.9100000000000001 113.732 -174.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.649 ' CE2' ' HB2' ' A' ' 78' ' ' HIS . 15.8 m-85 -151.74 141.72 22.1 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 114.156 -1.383 . . . . 0.53000000000000003 109.2 172.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -84.24 -32.47 8.27 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 CA-C-N 115.198 -0.91 . . . . 0.70999999999999996 110.152 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.521 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 9.6 mm-40 -95.12 130.79 41.69 Favored 'General case' 0 N--CA 1.426 -1.655 0 N-CA-C 109.598 -0.519 . . . . 1.98 109.598 -178.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.524 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 12.9 p -62.58 -33.8 75.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.028 0.442 . . . . 1.52 110.19 178.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 p -65.91 -43.22 88.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.822 -0.626 . . . . 1.3899999999999999 110.535 176.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.521 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 81.3 mm-40 -76.57 -22.39 54.35 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.005 0.431 . . . . 2.23 110.037 -177.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.576 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 15.9 tp -64.27 -54.43 33.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.633 -0.712 . . . . 1.8700000000000001 109.683 172.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.72 -25.93 65.9 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.765 -0.652 . . . . 0.34000000000000002 110.764 175.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.421 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 61.2 t30 -64.07 -36.28 83.51 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.921 -0.77 . . . . 1.3300000000000001 108.921 172.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.649 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 58.1 t60 -66.58 -41.72 88.08 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.353 -0.84 . . . . 0.46000000000000002 110.795 175.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.667 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 12.5 mm -68.04 -36.27 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.182 0.515 . . . . 0.69999999999999996 109.761 176.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -57.66 -36.26 71.65 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.727 -0.669 . . . . 4.21 112.133 175.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -82.69 3.59 28.44 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.132 0.491 . . . . 2.8999999999999999 110.715 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.667 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 3.7 m-70 -78.89 62.98 3.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.083 -0.71 . . . . 0.92000000000000004 109.083 171.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 C--O 1.246 0.895 0 CA-C-N 115.08 -0.964 . . . . 3.4300000000000002 110.423 -173.468 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.679 ' HG3' HG13 ' A' ' 70' ' ' VAL . 73.1 mmtt . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 109.869 -0.419 . . . . 5.3499999999999996 109.869 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -73.9 9.89 1.54 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.032 2.488 . . . . 1.6200000000000001 112.573 -178.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -101.17 88.52 3.52 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.798 -0.637 . . . . 1.48 110.442 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.602 ' HA ' ' HA ' ' A' ' 68' ' ' ARG . 23.6 t -126.85 142.89 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-N 116.187 -0.461 . . . . 1.04 109.771 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.937 ' HA ' HD11 ' A' ' 79' ' ' ILE . 48.4 t -70.32 99.6 1.58 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.327 -0.619 . . . . 0.38 109.327 176.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -58.45 -16.4 14.89 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.351 0.596 . . . . 2.79 110.776 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -95.8 -22.29 17.58 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 113.566 0.95 . . . . 2.77 113.566 -173.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.8 p -139.94 3.23 2.0 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 118.219 -1.393 . . . . 0.37 112.776 172.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.4 -14.69 61.9 Favored Glycine 0 C--O 1.227 -0.332 0 C-N-CA 120.967 -0.635 . . . . 0.42999999999999999 113.97 172.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -81.11 130.0 34.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.397 0.599 . . . . 2.0699999999999998 111.057 -177.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.602 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 13.5 ptt180 -104.02 170.91 7.64 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.172 0.805 . . . . 2.9100000000000001 113.172 -170.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.441 ' HE1' ' ND1' ' A' ' 78' ' ' HIS . 30.0 m-85 -143.92 177.96 8.18 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.411 -1.268 . . . . 0.53000000000000003 108.888 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.679 HG13 ' HG3' ' A' ' 58' ' ' LYS . 14.8 t -112.06 -19.03 7.17 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 N-CA-C 108.311 -0.996 . . . . 0.70999999999999996 108.311 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.601 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 30.1 mt-30 -112.1 129.01 56.37 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 114.203 -1.362 . . . . 1.98 109.692 -167.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 t -58.37 -46.74 85.75 Favored 'General case' 0 CA--C 1.516 -0.344 0 O-C-N 123.501 0.5 . . . . 1.52 109.98 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.5 p -57.02 -46.52 82.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.337 -0.847 . . . . 1.3899999999999999 110.683 177.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.601 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 16.1 mm100 -71.45 -36.96 71.41 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.513 -0.551 . . . . 2.23 109.513 -172.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.9 tp -63.14 -57.02 11.94 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.415 -0.811 . . . . 1.8700000000000001 110.664 176.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.15 -38.78 74.03 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.231 -0.895 . . . . 0.34000000000000002 110.281 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -58.7 -46.43 87.33 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.465 0.65 . . . . 1.3300000000000001 109.444 175.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.441 ' ND1' ' HE1' ' A' ' 69' ' ' PHE . 48.0 t60 -61.2 -47.31 86.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.831 -1.077 . . . . 0.46000000000000002 110.984 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.937 HD11 ' HA ' ' A' ' 62' ' ' CYS . 70.4 mt -80.06 -22.66 11.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.701 -0.681 . . . . 0.69999999999999996 112.135 -175.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -58.73 -24.61 61.84 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 120.949 0.404 . . . . 4.21 111.362 171.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -88.52 8.78 26.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.181 0.515 . . . . 2.8999999999999999 110.526 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -114.99 1.0 13.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.977 -0.556 . . . . 0.92000000000000004 110.65 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.1 t70 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.375 -0.822 . . . . 3.4300000000000002 110.194 -175.044 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.484 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 73.5 mmtt . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 109.273 -0.64 . . . . 5.3499999999999996 109.273 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 8.0 Cg_exo -72.63 -3.99 14.5 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.964 2.443 . . . . 1.6200000000000001 113.015 -175.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.591 ' HB2' ' O ' ' A' ' 69' ' ' PHE . 87.5 m-85 -125.71 96.81 4.91 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.994 0.426 . . . . 1.48 111.14 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.62 HG22 ' HB3' ' A' ' 68' ' ' ARG . 24.3 t -127.02 138.01 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.699 0 N-CA-C 109.851 -0.426 . . . . 1.04 109.851 175.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.418 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 41.4 t -71.81 102.94 2.98 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.846 -0.616 . . . . 0.38 109.906 177.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.1 -15.75 57.7 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.321 0.581 . . . . 2.79 110.167 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.404 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 53.5 mtt180 -87.11 -30.45 21.09 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.619 -0.718 . . . . 2.77 112.417 -172.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.2 p -137.98 2.17 2.33 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 118.668 -1.213 . . . . 0.37 112.99 173.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.45 5.99 81.43 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 114.75 0.66 . . . . 0.42999999999999999 114.75 170.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 30.0 mmmt -96.81 143.56 27.61 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.899 0.849 . . . . 2.0699999999999998 109.858 177.16 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.62 ' HB3' HG22 ' A' ' 61' ' ' VAL . 13.1 ptt-85 -118.11 167.21 11.69 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 113.072 0.767 . . . . 2.9100000000000001 113.072 -171.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.591 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 14.7 m-85 -148.64 151.05 34.32 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.63 -1.168 . . . . 0.53000000000000003 109.538 -177.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 81.6 t -85.51 -30.93 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.255 0 CA-C-N 115.056 -0.975 . . . . 0.70999999999999996 110.325 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.425 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 34.4 mt-30 -99.23 136.85 38.57 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 116.182 -0.463 . . . . 1.98 111.303 -174.172 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.428 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 4.0 m -52.65 -51.32 60.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.759 -0.655 . . . . 1.52 110.731 178.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.1 m -61.48 -38.86 88.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.47 -0.786 . . . . 1.3899999999999999 111.258 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.521 ' HB3' ' CD1' ' A' ' 69' ' ' PHE . 22.1 mm-40 -71.47 -29.08 64.43 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.45 -0.341 . . . . 2.23 110.661 -172.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.577 ' O ' HG12 ' A' ' 79' ' ' ILE . 34.0 tp -65.41 -55.86 15.74 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.22 -0.445 . . . . 1.8700000000000001 110.33 176.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.54 -23.96 65.49 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 116.038 -0.528 . . . . 0.34000000000000002 110.434 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.472 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 8.7 t30 -61.93 -40.76 96.6 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.051 -0.722 . . . . 1.3300000000000001 109.051 169.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.56 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 49.0 t60 -66.19 -42.08 89.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.066 -0.97 . . . . 0.46000000000000002 110.525 175.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.577 HG12 ' O ' ' A' ' 75' ' ' LEU . 31.7 mm -67.13 -32.44 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 0.69999999999999996 110.697 178.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 80' ' ' ARG . 2.8 mmm180 -57.4 -26.4 61.04 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 112.518 0.562 . . . . 4.21 112.518 178.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -86.87 5.16 38.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.344 0.593 . . . . 2.8999999999999999 110.3 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.537 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 7.9 m-70 -91.4 58.15 3.53 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.696 -0.853 . . . . 0.92000000000000004 108.696 171.09 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 C--O 1.249 1.036 0 CA-C-N 114.484 -1.235 . . . . 3.4300000000000002 110.798 -176.068 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.1 mttt . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 110.021 -0.363 . . . . 5.3499999999999996 110.021 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -84.79 -42.16 0.07 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.824 2.349 . . . . 1.6200000000000001 112.945 -178.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 1.097 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 67.2 m-85 -88.15 108.68 19.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.044 0.449 . . . . 1.48 111.679 -173.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.557 HG13 ' HB3' ' A' ' 68' ' ' ARG . 23.2 t -125.64 148.54 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 CA-C-N 115.62 -0.718 . . . . 1.04 110.084 177.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 52.9 t -81.01 105.51 12.29 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.684 -0.689 . . . . 0.38 109.7 175.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.84 -22.64 64.42 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.404 0.621 . . . . 2.79 109.928 176.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -84.23 -28.27 27.38 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.177 -0.919 . . . . 2.77 113.111 -171.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.1 p -137.88 -2.28 1.92 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 118.546 -1.262 . . . . 0.37 112.438 174.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.77 -17.47 59.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.42999999999999999 113.805 174.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -78.27 141.37 38.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 117.463 0.632 . . . . 2.0699999999999998 111.031 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.557 ' HB3' HG13 ' A' ' 61' ' ' VAL . 8.4 ptp85 -119.37 163.31 17.38 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.108 0.48 . . . . 2.9100000000000001 112.106 -172.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.581 ' HE2' ' HD1' ' A' ' 78' ' ' HIS . 5.6 m-85 -141.32 146.27 36.5 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 122.114 0.959 . . . . 0.53000000000000003 111.334 -173.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.1 t -72.39 -38.12 59.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 113.546 -1.661 . . . . 0.70999999999999996 110.18 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -101.32 129.17 47.25 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-N 115.419 -0.81 . . . . 1.98 109.571 -170.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.3 p -55.26 -43.41 74.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.806 0.691 . . . . 1.52 110.61 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.7 p -65.71 -42.0 91.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.432 -0.803 . . . . 1.3899999999999999 111.426 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -75.33 -28.65 59.71 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.406 -0.961 . . . . 2.23 108.406 -175.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 1.097 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 2.6 tm? -69.18 -49.23 58.55 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.01 -0.996 . . . . 1.8700000000000001 109.337 176.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.49 83.71 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.591 -0.731 . . . . 0.34000000000000002 110.265 172.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -58.69 -41.38 86.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.295 0.569 . . . . 1.3300000000000001 109.869 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.581 ' HD1' ' HE2' ' A' ' 69' ' ' PHE . 23.6 t60 -59.37 -56.1 26.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.111 -0.95 . . . . 0.46000000000000002 111.158 178.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.464 HD12 ' HD2' ' A' ' 78' ' ' HIS . 2.1 mp -66.85 -30.46 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.439 -0.346 . . . . 0.69999999999999996 111.772 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -56.28 -26.33 51.48 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 111.756 0.28 . . . . 4.21 111.756 172.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -80.88 -7.03 59.36 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.253 0.549 . . . . 2.8999999999999999 110.406 178.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -93.2 18.5 9.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.92000000000000004 110.955 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 26.6 t70 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.891 -0.576 . . . . 3.4300000000000002 109.566 176.106 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.466 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 48.7 mmtm . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.785 0.326 . . . . 5.3499999999999996 110.604 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 4.0 Cg_endo -85.65 20.14 1.28 Allowed 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 123.312 2.675 . . . . 1.6200000000000001 112.463 -177.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.443 ' CE2' ' HA ' ' A' ' 72' ' ' SER . 19.6 m-85 -85.4 90.59 7.98 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.445 0.641 . . . . 1.48 111.101 -178.117 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.956 HG22 ' HG2' ' A' ' 68' ' ' ARG . 64.0 t -117.93 137.14 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 115.289 -0.869 . . . . 1.04 110.407 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.677 ' SG ' ' HB2' ' A' ' 64' ' ' ARG . 42.8 t -74.53 94.01 2.56 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 107.938 -1.134 . . . . 0.38 107.938 170.009 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -63.76 -14.09 49.56 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.308 0.575 . . . . 2.79 109.775 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.677 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 17.3 mtp180 -67.98 -54.01 21.74 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.343 -0.844 . . . . 2.77 111.815 175.051 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.2 p -121.05 1.82 10.39 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 118.802 -1.159 . . . . 0.37 112.841 -176.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.4 11.96 79.39 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 120.916 -0.659 . . . . 0.42999999999999999 114.119 173.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -95.82 134.16 39.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 117.754 0.777 . . . . 2.0699999999999998 111.282 177.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.956 ' HG2' HG22 ' A' ' 61' ' ' VAL . 53.3 mtm-85 -97.31 157.54 15.92 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 113.151 0.797 . . . . 2.9100000000000001 113.151 -177.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 78' ' ' HIS . 12.5 m-85 -144.43 137.77 27.23 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.362 -1.29 . . . . 0.53000000000000003 109.769 176.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.5 t -82.29 -30.17 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 CA-C-N 114.376 -1.284 . . . . 0.70999999999999996 110.921 -175.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.452 ' HB2' ' CG ' ' A' ' 74' ' ' GLN . 45.8 mt-30 -98.39 129.09 45.04 Favored 'General case' 0 N--CA 1.423 -1.799 0 O-C-N 122.27 -0.269 . . . . 1.98 110.297 -174.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.443 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 31.7 m -50.34 -52.51 36.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.479 0.487 . . . . 1.52 111.69 -170.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.0 m -68.42 -25.33 64.97 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.77 -0.65 . . . . 1.3899999999999999 111.624 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.452 ' CG ' ' HB2' ' A' ' 71' ' ' GLN . 13.6 mm100 -78.13 -21.53 50.21 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 120.746 -0.382 . . . . 2.23 110.568 -173.039 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.4 tp -65.9 -53.9 33.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.404 0.621 . . . . 1.8700000000000001 109.646 172.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.52 -36.26 75.76 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.159 -0.928 . . . . 0.34000000000000002 110.17 173.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.41 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 24.5 t-20 -59.25 -45.77 90.27 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.484 -0.561 . . . . 1.3300000000000001 109.484 175.055 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 69' ' ' PHE . 69.6 t60 -58.15 -51.45 69.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.827 -0.624 . . . . 0.46000000000000002 111.049 178.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.621 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 31.7 mt -72.97 -27.28 24.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.297 -0.41 . . . . 0.69999999999999996 111.844 -176.281 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -72.34 1.85 7.12 Favored 'General case' 0 N--CA 1.446 -0.649 0 O-C-N 121.922 -0.486 . . . . 4.21 111.652 171.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.47 ' HB2' ' O ' ' A' ' 78' ' ' HIS . 38.9 m80 -98.41 -2.41 39.18 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.777 -0.453 . . . . 2.8999999999999999 109.777 169.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.621 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.0 OUTLIER -82.77 -4.55 58.11 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.978 -0.555 . . . . 0.92000000000000004 111.785 -175.524 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 . . . . . 0 C--O 1.247 0.924 0 N-CA-C 109.635 -0.506 . . . . 3.4300000000000002 109.635 173.44 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.714 ' HB3' ' HD1' ' A' ' 60' ' ' TYR . 41.8 mttm . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.763 0.316 . . . . 5.3499999999999996 111.002 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 1.9 Cg_endo -84.24 46.82 2.06 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 123.073 2.516 . . . . 1.6200000000000001 112.037 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.714 ' HD1' ' HB3' ' A' ' 58' ' ' LYS . 22.7 m-85 -108.47 88.36 2.71 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.568 -0.53 . . . . 1.48 109.568 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.634 HG22 ' HB3' ' A' ' 68' ' ' ARG . 22.2 t -122.7 142.83 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-O 121.046 0.451 . . . . 1.04 110.464 -178.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.544 ' HA ' HD11 ' A' ' 79' ' ' ILE . 51.3 t -74.78 109.31 8.15 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.741 -0.663 . . . . 0.38 109.479 176.27 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.59 -22.95 64.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.078 -0.51 . . . . 2.79 110.981 178.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.527 ' HB2' ' CD2' ' A' ' 82' ' ' HIS . 78.1 mtt180 -87.58 -31.93 19.61 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 113.394 0.887 . . . . 2.77 113.394 -171.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.4 p -132.9 -1.95 3.3 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 118.103 -1.439 . . . . 0.37 112.759 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.45 -11.3 72.43 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.524 -0.846 . . . . 0.42999999999999999 114.192 173.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -82.04 141.22 33.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.385 0.592 . . . . 2.0699999999999998 110.776 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.634 ' HB3' HG22 ' A' ' 61' ' ' VAL . 23.2 ptt180 -121.4 168.41 11.71 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.593 0.59 . . . . 2.9100000000000001 112.593 -173.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.449 ' CE2' ' HG3' ' A' ' 74' ' ' GLN . 75.7 m-85 -146.02 178.13 8.44 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 114.994 -1.003 . . . . 0.53000000000000003 109.58 -173.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.523 HG13 ' HD2' ' A' ' 58' ' ' LYS . 2.9 t -115.47 -23.7 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.236 0 N-CA-C 108.265 -1.013 . . . . 0.70999999999999996 108.265 178.002 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.686 ' HB2' ' HB3' ' A' ' 74' ' ' GLN . 61.6 mt-30 -97.43 128.05 43.89 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 114.7 -1.136 . . . . 1.98 109.444 -175.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.8 t -62.87 -42.75 99.88 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.49 -0.559 . . . . 1.52 109.49 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.4 t -63.2 -42.09 99.26 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.538 -0.756 . . . . 1.3899999999999999 109.917 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.686 ' HB3' ' HB2' ' A' ' 71' ' ' GLN . 6.5 tp-100 -72.78 -32.64 65.74 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.988 -0.745 . . . . 2.23 108.988 -173.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.509 HD22 ' HB3' ' A' ' 60' ' ' TYR . 39.5 tp -64.14 -57.25 10.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.856 -1.066 . . . . 1.8700000000000001 110.145 176.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.5 ' O ' ' HG3' ' A' ' 80' ' ' ARG . . . -58.23 -37.81 75.59 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.365 -0.834 . . . . 0.34000000000000002 110.453 174.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -58.74 -45.26 90.07 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.674 -0.491 . . . . 1.3300000000000001 109.674 175.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.444 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 73.8 t60 -58.39 -53.44 58.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.638 -0.71 . . . . 0.46000000000000002 110.848 178.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.544 HD11 ' HA ' ' A' ' 62' ' ' CYS . 38.8 mt -73.84 -23.72 19.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.451 -0.795 . . . . 0.69999999999999996 112.327 -175.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 16.3 mtm180 -55.51 -29.65 59.23 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.92 0.391 . . . . 4.21 111.723 173.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -91.57 22.09 4.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.699 0.762 . . . . 2.8999999999999999 110.271 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.527 ' CD2' ' HB2' ' A' ' 64' ' ' ARG . 1.6 m-70 -104.83 13.51 31.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.483 0.659 . . . . 0.92000000000000004 109.826 172.256 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.6 t70 . . . . . 0 C--O 1.247 0.973 0 CA-C-N 114.877 -1.056 . . . . 3.4300000000000002 109.217 174.385 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.439 ' HG2' ' OG ' ' A' ' 72' ' ' SER . 13.2 tptt . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 109.988 -0.375 . . . . 5.3499999999999996 109.988 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 2.9 Cg_endo -83.94 63.04 7.06 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 123.325 2.683 . . . . 1.6200000000000001 112.079 -176.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.609 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 5.2 m-85 -110.81 107.51 17.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.619 -0.719 . . . . 1.48 111.266 -178.047 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.501 HG22 ' HB3' ' A' ' 68' ' ' ARG . 54.7 t -113.77 136.79 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 115.343 -0.844 . . . . 1.04 110.169 177.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 64' ' ' ARG . 14.6 t -73.15 98.83 2.67 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.406 -0.961 . . . . 0.38 108.406 171.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.2 -17.91 65.02 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.478 -0.564 . . . . 2.79 109.478 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.523 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 51.2 mtp180 -70.51 -42.09 71.75 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.451 -0.795 . . . . 2.77 111.489 -177.112 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.2 p -133.8 4.42 3.57 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 118.985 -1.086 . . . . 0.37 112.688 177.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.33 -11.33 72.38 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 114.624 0.61 . . . . 0.42999999999999999 114.624 170.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 62' ' ' CYS . 53.9 mttm -88.52 122.91 32.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.713 0.757 . . . . 2.0699999999999998 110.898 -176.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.501 ' HB3' HG22 ' A' ' 61' ' ' VAL . 21.2 ptt180 -107.22 168.65 9.07 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 112.558 0.577 . . . . 2.9100000000000001 112.558 -174.275 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.543 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 37.7 m-85 -140.72 143.37 34.97 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 115.052 -0.976 . . . . 0.53000000000000003 109.75 -178.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.2 t -68.65 -27.22 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 CA-C-N 114.326 -1.306 . . . . 0.70999999999999996 110.604 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -108.29 130.69 55.17 Favored 'General case' 0 N--CA 1.429 -1.525 0 CA-C-O 120.92 0.391 . . . . 1.98 110.38 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.439 ' OG ' ' HG2' ' A' ' 58' ' ' LYS . 5.1 m -56.41 -39.64 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.567 -0.742 . . . . 1.52 110.603 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.0 t -59.58 -43.75 93.53 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.674 -0.694 . . . . 1.3899999999999999 110.501 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -75.48 -32.35 60.54 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.536 -0.302 . . . . 2.23 110.362 -174.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.732 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 2.2 tm? -71.17 -38.9 72.14 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.313 -0.625 . . . . 1.8700000000000001 109.313 177.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' A' ' 80' ' ' ARG . . . -75.68 -29.97 59.22 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.094 -0.643 . . . . 0.34000000000000002 109.939 176.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -62.24 -37.79 86.77 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.368 -0.975 . . . . 1.3300000000000001 108.368 170.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.732 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 50.7 t60 -58.86 -49.25 78.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.725 -1.125 . . . . 0.46000000000000002 110.451 173.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.648 HG12 ' O ' ' A' ' 75' ' ' LEU . 33.1 mm -63.76 -39.87 86.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.904 -0.589 . . . . 0.69999999999999996 110.799 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 88.1 mtt180 -55.26 -31.26 61.4 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 113.137 0.791 . . . . 4.21 113.137 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.479 ' NE2' ' HA ' ' A' ' 78' ' ' HIS . 30.4 p80 -99.44 29.77 3.86 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.444 0.64 . . . . 2.8999999999999999 111.121 176.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.495 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.8 m-70 -100.1 20.1 15.14 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.102 -0.703 . . . . 0.92000000000000004 109.102 168.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.2 t70 . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.343 -0.844 . . . . 3.4300000000000002 110.565 -175.544 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.461 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 54.6 mtpt . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 109.724 -0.473 . . . . 5.3499999999999996 109.724 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 11.5 Cg_exo -70.14 -19.91 33.74 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.263 2.642 . . . . 1.6200000000000001 113.727 -168.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.501 ' HB3' HD22 ' A' ' 75' ' ' LEU . 97.5 m-85 -127.79 105.7 8.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.33 0.586 . . . . 1.48 111.327 -174.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.825 HG22 ' HG2' ' A' ' 68' ' ' ARG . 95.3 t -128.83 134.58 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 CA-C-N 115.563 -0.744 . . . . 1.04 110.864 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.68 ' HA ' HD11 ' A' ' 79' ' ' ILE . 50.1 t -71.93 93.54 1.36 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.709 -0.849 . . . . 0.38 108.709 173.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.94 -19.4 17.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.079 0.466 . . . . 2.79 110.481 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.463 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 28.2 mtp180 -74.29 -44.63 51.95 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.665 -0.698 . . . . 2.77 112.531 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.54 ' SG ' ' HG2' ' A' ' 67' ' ' LYS . 18.1 p -123.45 -17.62 6.46 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 118.205 -1.398 . . . . 0.37 112.671 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.6 1.77 43.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.545 -0.836 . . . . 0.42999999999999999 113.85 176.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.54 ' HG2' ' SG ' ' A' ' 65' ' ' CYS . 29.1 mmmt -84.33 138.96 32.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 117.587 0.693 . . . . 2.0699999999999998 110.523 178.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.825 ' HG2' HG22 ' A' ' 61' ' ' VAL . 75.8 mtt85 -107.66 158.18 17.48 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 113.83 1.048 . . . . 2.9100000000000001 113.83 -171.328 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -146.15 168.7 20.36 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.009 -1.451 . . . . 0.53000000000000003 109.228 178.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 t -114.64 -24.6 3.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 N-CA-C 108.178 -1.045 . . . . 0.70999999999999996 108.178 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.579 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 69.8 mm-40 -93.44 128.41 39.51 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-N 114.686 -1.143 . . . . 1.98 109.756 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.7 t -59.8 -41.47 91.28 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.999 -0.741 . . . . 1.52 108.999 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.8 t -59.85 -46.46 89.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.084 -0.962 . . . . 1.3899999999999999 110.472 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.579 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 85.4 mt-30 -72.64 -32.42 65.87 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 110.242 -0.281 . . . . 2.23 110.242 -173.29 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 60' ' ' TYR . 31.5 tp -62.72 -57.4 11.1 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.101 -0.5 . . . . 1.8700000000000001 110.115 175.032 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.16 -38.46 73.59 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.361 -0.836 . . . . 0.34000000000000002 110.23 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -59.29 -45.13 92.08 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.526 -0.546 . . . . 1.3300000000000001 109.526 175.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -60.95 -46.88 88.95 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.393 -0.821 . . . . 0.46000000000000002 111.326 -178.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.68 HD11 ' HA ' ' A' ' 62' ' ' CYS . 59.6 mt -80.68 -23.04 11.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.965 -0.561 . . . . 0.69999999999999996 111.794 -175.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -69.99 0.17 6.44 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 122.052 -0.405 . . . . 4.21 111.447 171.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -112.83 22.68 14.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.087 0.47 . . . . 2.8999999999999999 109.852 172.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.426 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 0.9 OUTLIER -107.45 64.42 0.63 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.837 -0.619 . . . . 0.92000000000000004 111.11 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.255 -0.878 . . . . 3.4300000000000002 109.556 176.969 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 109.835 -0.431 . . . . 5.3499999999999996 109.835 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -73.0 6.78 2.33 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.26 2.64 . . . . 1.6200000000000001 113.209 -175.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.408 ' HA ' HD22 ' A' ' 75' ' ' LEU . 87.9 m-85 -111.0 87.4 2.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.048 0.451 . . . . 1.48 110.904 -177.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.531 HG13 ' HB3' ' A' ' 68' ' ' ARG . 30.4 t -140.66 144.51 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 115.706 -0.679 . . . . 1.04 109.461 176.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.504 ' SG ' ' HB2' ' A' ' 64' ' ' ARG . 42.3 t -77.41 107.82 10.11 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.081 -0.509 . . . . 0.38 110.087 177.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.23 -19.04 65.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.396 0.617 . . . . 2.79 109.909 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.504 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 18.2 mtp180 -79.36 -35.64 40.57 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 113.067 0.766 . . . . 2.77 113.067 -176.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.5 p -140.1 3.96 2.02 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 118.302 -1.359 . . . . 0.37 113.171 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.53 -22.27 36.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.446 -0.883 . . . . 0.42999999999999999 113.79 174.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -66.87 125.6 26.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 117.489 0.644 . . . . 2.0699999999999998 111.396 -177.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.531 ' HB3' HG13 ' A' ' 61' ' ' VAL . 14.8 ptp180 -105.33 164.99 11.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.016 -0.538 . . . . 2.9100000000000001 111.143 -176.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -144.6 149.65 36.14 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 121.377 0.608 . . . . 0.53000000000000003 110.131 -173.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.0 t -77.21 -36.99 25.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 CA-C-N 114.961 -1.018 . . . . 0.70999999999999996 109.672 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -102.23 140.58 36.32 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 115.718 -0.674 . . . . 1.98 110.862 -170.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.8 p -63.25 -39.45 94.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.584 -0.734 . . . . 1.52 110.153 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.2 t -61.4 -48.29 81.91 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.728 -0.669 . . . . 1.3899999999999999 110.287 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -64.74 -38.84 92.34 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 109.1 -0.704 . . . . 2.23 109.1 -176.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 60' ' ' TYR . 63.2 tp -61.84 -60.54 3.5 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.187 -0.915 . . . . 1.8700000000000001 110.54 179.065 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.4 -43.66 68.08 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.424 -0.807 . . . . 0.34000000000000002 110.399 176.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -59.63 -42.39 92.6 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.451 -0.574 . . . . 1.3300000000000001 109.451 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.443 ' HD2' HD12 ' A' ' 79' ' ' ILE . 71.1 t60 -62.09 -53.06 60.73 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.36 -0.836 . . . . 0.46000000000000002 111.205 -177.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.506 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 2.1 mp -69.76 -33.01 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 116.412 -0.358 . . . . 0.69999999999999996 111.134 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -62.21 -24.44 67.22 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.967 0.413 . . . . 4.21 111.112 174.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -83.47 -4.61 58.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.908 -0.587 . . . . 2.8999999999999999 110.419 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.506 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 5.0 m-70 -84.94 72.12 10.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.034 0.445 . . . . 0.92000000000000004 111.587 -178.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.1 t70 . . . . . 0 C--O 1.244 0.772 0 CA-C-O 118.516 -0.754 . . . . 3.4300000000000002 109.895 171.94 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 96.9 mttt . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.061 0.458 . . . . 5.3499999999999996 109.922 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 13.9 Cg_exo -71.42 -18.68 29.52 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.508 2.805 . . . . 1.6200000000000001 113.794 -173.038 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.492 ' HB2' ' O ' ' A' ' 69' ' ' PHE . 75.8 m-85 -86.81 89.31 7.92 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.681 0.753 . . . . 1.48 111.741 -173.497 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.647 HG22 ' HB3' ' A' ' 68' ' ' ARG . 38.4 t -128.01 139.96 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 CA-C-N 115.323 -0.853 . . . . 1.04 109.812 177.299 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.41 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 52.4 t -72.0 101.1 2.62 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.775 -0.824 . . . . 0.38 108.775 175.077 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -59.81 -16.58 29.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.224 0.535 . . . . 2.79 110.607 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -87.56 -35.72 17.96 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 115.83 -0.623 . . . . 2.77 112.541 -173.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.1 p -129.85 4.11 4.94 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 118.404 -1.318 . . . . 0.37 112.101 177.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.5 -15.13 57.84 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 120.907 -0.663 . . . . 0.42999999999999999 113.909 172.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -78.57 133.92 37.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.432 0.616 . . . . 2.0699999999999998 110.853 -177.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.647 ' HB3' HG22 ' A' ' 61' ' ' VAL . 16.8 ptt180 -113.73 168.97 9.33 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.481 0.658 . . . . 2.9100000000000001 112.493 -173.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.492 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 15.1 m-85 -147.48 153.4 39.49 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 114.489 -1.232 . . . . 0.53000000000000003 109.017 -177.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.2 -33.57 6.59 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 CA-C-N 115.35 -0.841 . . . . 0.70999999999999996 109.17 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.557 HE21 ' HG3' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -89.59 127.46 35.9 Favored 'General case' 0 N--CA 1.414 -2.23 0 CA-C-N 115.619 -0.719 . . . . 1.98 109.414 -177.03 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.9 t -63.77 -36.67 84.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.73 -0.668 . . . . 1.52 109.815 -178.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.0 t -65.94 -39.0 90.08 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.338 -0.846 . . . . 1.3899999999999999 110.072 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.557 ' HG3' HE21 ' A' ' 71' ' ' GLN . 85.3 mm-40 -78.95 -23.28 44.69 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.011 0.434 . . . . 2.23 109.906 -174.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.431 HD22 ' HB3' ' A' ' 60' ' ' TYR . 24.0 tp -63.9 -54.13 39.58 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.588 -0.733 . . . . 1.8700000000000001 109.953 172.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.53 86.86 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.066 -0.97 . . . . 0.34000000000000002 109.94 173.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.473 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 47.0 t30 -56.67 -45.18 81.86 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.545 -0.539 . . . . 1.3300000000000001 109.545 175.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 79.5 t60 -57.97 -53.05 62.66 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.623 -0.717 . . . . 0.46000000000000002 110.979 178.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 47.0 mt -76.48 -22.94 15.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.882 -0.599 . . . . 0.69999999999999996 112.02 -174.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 80' ' ' ARG . 1.4 mmp_? -63.07 -17.96 62.84 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 121.927 -0.483 . . . . 4.21 111.402 172.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -99.18 18.96 16.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.186 0.517 . . . . 2.8999999999999999 110.524 177.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.507 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 0.5 OUTLIER -98.52 75.16 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.801 -0.636 . . . . 0.92000000000000004 110.522 175.76 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 C--O 1.246 0.897 0 CA-C-N 115.869 -0.605 . . . . 3.4300000000000002 110.039 174.616 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.409 ' HB3' ' HD1' ' A' ' 60' ' ' TYR . 32.7 mmmt . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 110.148 -0.316 . . . . 5.3499999999999996 110.148 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 4.6 Cg_exo -78.19 33.72 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.579 2.852 . . . . 1.6200000000000001 112.775 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.532 ' HB2' ' O ' ' A' ' 69' ' ' PHE . 41.0 m-85 -103.55 95.94 6.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.043 -0.526 . . . . 1.48 110.248 -178.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.683 ' HB ' ' HG2' ' A' ' 68' ' ' ARG . 7.6 p -123.15 139.97 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 CA-C-N 115.862 -0.608 . . . . 1.04 110.096 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.699 ' SG ' HG12 ' A' ' 79' ' ' ILE . 33.7 t -71.73 95.57 1.5 Allowed 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.556 -0.905 . . . . 0.38 108.556 173.073 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.35 -10.1 10.21 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.067 0.461 . . . . 2.79 110.924 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.619 ' HD3' HG23 ' A' ' 79' ' ' ILE . 29.6 mtp180 -81.44 -35.06 31.07 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.996 -0.547 . . . . 2.77 112.465 177.116 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 23.4 p -129.96 -4.07 4.55 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 118.741 -1.184 . . . . 0.37 112.981 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.05 -8.79 77.58 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.794 -0.717 . . . . 0.42999999999999999 113.762 175.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -88.49 130.08 35.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 117.415 0.607 . . . . 2.0699999999999998 111.364 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.683 ' HG2' ' HB ' ' A' ' 61' ' ' VAL . 21.2 mtm180 -91.45 163.42 14.18 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 113.679 0.992 . . . . 2.9100000000000001 113.679 -175.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.532 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 15.2 m-85 -143.09 147.26 34.73 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 113.842 -1.526 . . . . 0.53000000000000003 108.856 177.425 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.9 t -84.38 -32.5 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 CA-C-N 114.975 -1.011 . . . . 0.70999999999999996 110.256 -176.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.497 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 47.9 mt-30 -97.63 131.63 44.02 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 116.226 -0.443 . . . . 1.98 110.23 -176.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 38.1 t -58.13 -42.46 85.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.194 0.521 . . . . 1.52 109.739 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 m -60.37 -46.04 91.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.305 -0.862 . . . . 1.3899999999999999 110.575 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.497 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 29.9 mm-40 -75.66 -25.77 57.11 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.476 -0.329 . . . . 2.23 110.293 -174.014 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 60' ' ' TYR . 34.3 tp -63.2 -57.22 11.24 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.285 0.564 . . . . 1.8700000000000001 110.008 173.106 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.59 -38.82 75.53 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.15 -0.932 . . . . 0.34000000000000002 109.914 174.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -56.87 -46.82 81.58 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.482 -0.562 . . . . 1.3300000000000001 109.482 175.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -60.31 -52.29 65.88 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.157 -0.929 . . . . 0.46000000000000002 110.796 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.699 HG12 ' SG ' ' A' ' 62' ' ' CYS . 15.1 mt -71.29 -27.79 30.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.195 -0.457 . . . . 0.69999999999999996 111.817 -176.233 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -62.85 -20.57 65.22 Favored 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 122.072 -0.393 . . . . 4.21 111.101 172.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -86.85 2.97 47.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.085 0.469 . . . . 2.8999999999999999 110.575 177.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.489 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.7 m-70 -89.55 12.6 16.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.366 0.603 . . . . 0.92000000000000004 110.237 175.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 C--O 1.249 1.034 0 CA-C-N 115.458 -0.792 . . . . 3.4300000000000002 109.624 177.068 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 120.797 0.332 . . . . 5.3499999999999996 110.872 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -84.19 -4.06 10.3 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.14 2.56 . . . . 1.6200000000000001 110.977 175.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.555 ' HB3' HD22 ' A' ' 75' ' ' LEU . 87.4 m-85 -99.31 110.78 23.26 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.339 -0.846 . . . . 1.48 110.744 -177.004 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.694 ' HB ' ' HG2' ' A' ' 68' ' ' ARG . 7.5 p -128.72 142.74 43.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.364 -0.834 . . . . 1.04 109.761 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.816 ' HA ' HD11 ' A' ' 79' ' ' ILE . 39.3 t -68.72 104.04 1.9 Allowed 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.328 -0.619 . . . . 0.38 109.328 175.306 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -48.88 -31.68 7.63 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 123.923 0.764 . . . . 2.79 111.478 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.419 ' HB2' ' CD2' ' A' ' 82' ' ' HIS . 82.0 mtt180 -82.36 -47.86 11.82 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 113.048 0.759 . . . . 2.77 113.048 -174.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.6 p -114.76 -4.49 12.7 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 118.754 -1.178 . . . . 0.37 112.093 -173.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.69 -1.53 85.55 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.852 -0.689 . . . . 0.42999999999999999 113.968 173.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -82.7 120.45 25.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.649 0.724 . . . . 2.0699999999999998 111.538 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.694 ' HG2' ' HB ' ' A' ' 61' ' ' VAL . 75.0 mtm180 -79.67 158.41 27.01 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.842 -0.617 . . . . 2.9100000000000001 112.596 178.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -141.78 147.81 37.9 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 114.708 -1.133 . . . . 0.53000000000000003 110.137 -177.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.1 t -81.14 -33.52 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 CA-C-N 114.006 -1.452 . . . . 0.70999999999999996 110.153 -178.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.608 ' HB2' ' CB ' ' A' ' 74' ' ' GLN . 16.5 mm-40 -97.19 128.2 43.86 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-N 115.846 -0.615 . . . . 1.98 110.003 -175.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.9 m -59.63 -44.67 93.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.805 -0.634 . . . . 1.52 109.722 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.3 t -66.94 -36.51 82.39 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.336 -0.847 . . . . 1.3899999999999999 110.38 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.608 ' CB ' ' HB2' ' A' ' 71' ' ' GLN . 6.0 tp-100 -74.77 -29.55 61.16 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.101 -0.703 . . . . 2.23 109.101 -174.244 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' A' ' 60' ' ' TYR . 25.0 tp -60.97 -59.74 4.89 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.698 -0.683 . . . . 1.8700000000000001 110.238 173.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.64 -39.46 70.89 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.026 -0.988 . . . . 0.34000000000000002 110.166 176.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -62.14 -43.35 99.03 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.311 -0.626 . . . . 1.3300000000000001 109.311 177.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.437 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 71.6 t60 -58.78 -51.2 70.98 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.429 -0.805 . . . . 0.46000000000000002 110.39 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.816 HD11 ' HA ' ' A' ' 62' ' ' CYS . 10.6 mt -71.36 -33.29 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.127 -0.488 . . . . 0.69999999999999996 111.737 -177.326 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -62.21 -19.79 63.51 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 111.739 0.274 . . . . 4.21 111.739 174.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -89.7 5.82 44.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.915 0.388 . . . . 2.8999999999999999 110.782 175.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.54 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 2.0 m-70 -92.45 -5.13 52.55 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.443 -0.577 . . . . 0.92000000000000004 109.443 172.291 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 37.0 t70 . . . . . 0 C--O 1.246 0.919 0 CA-C-N 115.092 -0.958 . . . . 3.4300000000000002 110.179 -176.543 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.67 ' HD2' ' HD2' ' A' ' 59' ' ' PRO . 16.3 tptm . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.089 -0.337 . . . . 5.3499999999999996 110.089 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.67 ' HD2' ' HD2' ' A' ' 58' ' ' LYS . 79.1 Cg_endo -80.33 46.61 2.29 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.152 2.568 . . . . 1.6200000000000001 113.627 -174.281 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -125.12 97.07 5.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.593 0.711 . . . . 1.48 111.345 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.519 HG22 ' HB3' ' A' ' 68' ' ' ARG . 43.6 t -126.13 146.65 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-N 114.769 -1.105 . . . . 1.04 109.745 178.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.798 ' HA ' HD11 ' A' ' 79' ' ' ILE . 47.8 t -69.05 94.71 0.67 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.667 -0.864 . . . . 0.38 108.667 174.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -56.64 -20.01 19.13 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.562 0.696 . . . . 2.79 110.164 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -87.54 -26.15 23.3 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.137 -0.938 . . . . 2.77 113.193 -172.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.1 p -134.7 -5.38 2.5 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 117.96 -1.496 . . . . 0.37 112.86 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.69 -5.27 66.78 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.817 -0.706 . . . . 0.42999999999999999 114.143 173.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -89.1 145.84 25.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.569 0.684 . . . . 2.0699999999999998 110.654 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.519 ' HB3' HG22 ' A' ' 61' ' ' VAL . 12.2 ptm180 -123.9 172.07 9.2 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.858 0.688 . . . . 2.9100000000000001 112.858 -171.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.524 ' HB2' HD23 ' A' ' 75' ' ' LEU . 13.5 m-85 -141.89 170.72 15.19 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 115.022 -0.99 . . . . 0.53000000000000003 109.037 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -105.53 -21.82 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.292 0 N-CA-C 107.464 -1.31 . . . . 0.70999999999999996 107.464 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.567 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 11.4 mm-40 -102.81 128.09 49.71 Favored 'General case' 0 N--CA 1.424 -1.732 0 CA-C-N 113.902 -1.499 . . . . 1.98 108.85 -178.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.6 t -60.46 -43.18 97.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.237 0.541 . . . . 1.52 109.81 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.2 t -67.92 -32.37 72.79 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.585 -0.734 . . . . 1.3899999999999999 110.661 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.567 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 16.9 mt-30 -79.26 -27.77 42.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.381 -0.528 . . . . 2.23 109.915 -175.236 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.543 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 1.3 tm? -72.31 -39.77 68.0 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.241 -1.022 . . . . 1.8700000000000001 108.241 176.058 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.13 -38.06 84.92 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.69 -0.485 . . . . 0.34000000000000002 109.69 174.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -60.96 -41.62 96.68 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.233 -0.654 . . . . 1.3300000000000001 109.233 175.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.543 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 30.3 t60 -55.87 -52.84 62.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.835 -1.075 . . . . 0.46000000000000002 111.242 177.364 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.798 HD11 ' HA ' ' A' ' 62' ' ' CYS . 53.6 mt -76.1 -27.93 18.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.098 -0.501 . . . . 0.69999999999999996 112.063 -177.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -69.11 -19.8 64.05 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 120.987 0.422 . . . . 4.21 110.742 171.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -79.4 -6.75 57.52 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.501 0.667 . . . . 2.8999999999999999 109.782 172.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.591 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 8.5 m-70 -88.2 4.17 46.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.578 -0.737 . . . . 0.92000000000000004 110.106 173.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.467 -0.778 . . . . 3.4300000000000002 110.038 179.24 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.537 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 51.2 m-85 . . . . . 0 N--CA 1.449 -0.522 0 CA-C-O 121.071 0.462 . . . . 1.48 110.293 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.747 HG22 ' HB3' ' A' ' 68' ' ' ARG . 21.4 t -125.75 144.29 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 CA-C-N 115.7 -0.682 . . . . 1.04 110.022 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.891 ' HA ' HD11 ' A' ' 79' ' ' ILE . 53.9 t -68.78 101.11 1.26 Allowed 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.614 -0.721 . . . . 0.38 110.226 177.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -56.73 -23.84 45.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.37 0.605 . . . . 2.79 110.316 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -84.9 -27.01 26.93 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 113.391 0.886 . . . . 2.77 113.391 -172.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 12.4 p -139.54 -4.1 1.46 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 118.115 -1.434 . . . . 0.37 113.631 175.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.62 12.33 61.07 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 120.276 -0.964 . . . . 0.43 114.403 173.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -99.78 137.63 37.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 117.664 0.732 . . . . 2.07 111.191 175.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.747 ' HB3' HG22 ' A' ' 61' ' ' VAL . 32.7 ptt180 -113.93 167.85 10.3 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.167 -0.47 . . . . 2.91 111.99 -176.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.503 ' HB2' HD23 ' A' ' 75' ' ' LEU . 12.4 m-85 -142.25 147.61 36.75 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-O 121.899 0.857 . . . . 0.53 111.072 -176.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 66.9 t -69.8 -32.19 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.265 0 CA-C-N 113.678 -1.601 . . . . 0.71 110.364 176.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.613 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 0.2 OUTLIER -105.03 128.9 53.52 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 116.121 -0.49 . . . . 1.98 110.094 -178.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.2 m -61.08 -37.23 81.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.854 -0.612 . . . . 1.52 109.728 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.9 t -60.85 -41.86 96.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.189 -0.914 . . . . 1.39 110.737 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.613 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 0.5 OUTLIER -75.88 -30.76 58.96 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 109.651 -0.499 . . . . 2.23 109.651 -174.391 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.537 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 1.1 tm? -70.0 -41.97 73.67 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.88 -0.785 . . . . 1.87 108.88 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.97 -37.21 81.26 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.815 -0.439 . . . . 0.34 109.815 175.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -61.32 -41.61 97.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.585 0.707 . . . . 1.33 109.246 174.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.513 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 55.0 t60 -57.16 -53.4 58.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.865 -1.061 . . . . 0.46 111.011 177.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.891 HD11 ' HA ' ' A' ' 62' ' ' CYS . 67.2 mt -76.46 -22.68 15.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.088 -0.506 . . . . 0.7 111.927 -176.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.58 -28.56 60.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 120.91 0.386 . . . . 4.21 110.932 168.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -82.85 -1.84 53.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 2.9 111.105 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 116.148 -0.478 . . . . 0.92 109.943 175.24 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.722 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 20.9 m-85 . . . . . 0 N--CA 1.449 -0.475 0 CA-C-O 121.512 0.672 . . . . 1.48 111.062 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.622 HG22 ' HG2' ' A' ' 68' ' ' ARG . 29.0 t -120.59 143.18 33.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 CA-C-N 115.044 -0.98 . . . . 1.04 109.953 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.753 ' HA ' HD11 ' A' ' 79' ' ' ILE . 49.2 t -81.32 104.9 12.1 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.202 -0.666 . . . . 0.38 109.202 173.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -65.25 -20.55 66.47 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.438 0.637 . . . . 2.79 109.771 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -76.91 -32.95 57.76 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.393 -0.821 . . . . 2.77 112.539 -175.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.0 p -139.07 10.25 2.57 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 118.579 -1.248 . . . . 0.37 112.699 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.73 -16.66 24.94 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 114.184 0.433 . . . . 0.43 114.184 171.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -81.27 137.79 35.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.227 0.513 . . . . 2.07 112.031 -173.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.622 ' HG2' HG22 ' A' ' 61' ' ' VAL . 19.1 mtp180 -102.23 172.29 6.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 113.854 1.057 . . . . 2.91 113.854 -173.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.623 ' HE2' ' ND1' ' A' ' 78' ' ' HIS . 16.8 m-85 -146.47 143.31 28.89 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 113.907 -1.497 . . . . 0.53 109.42 172.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.8 t -75.22 -32.86 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.346 0 CA-C-N 114.38 -1.282 . . . . 0.71 109.692 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -96.62 129.13 44.06 Favored 'General case' 0 N--CA 1.423 -1.823 0 CA-C-N 116.019 -0.537 . . . . 1.98 110.198 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 p -55.61 -43.76 76.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.378 -0.828 . . . . 1.52 110.467 178.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.8 m -59.3 -42.33 91.09 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.252 -0.886 . . . . 1.39 111.029 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.411 HE21 ' HB3' ' A' ' 74' ' ' GLN . 18.1 mt-30 -75.25 -32.77 61.19 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 110.147 -0.316 . . . . 2.23 110.147 -172.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.722 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 1.6 tm? -71.73 -40.31 69.51 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.024 -0.732 . . . . 1.87 109.024 178.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.24 -36.27 81.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.735 -0.469 . . . . 0.34 109.735 175.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -63.07 -41.78 99.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.548 0.69 . . . . 1.33 109.244 174.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.623 ' ND1' ' HE2' ' A' ' 69' ' ' PHE . 43.3 t60 -56.66 -46.95 80.78 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.582 -1.19 . . . . 0.46 111.445 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.753 HD11 ' HA ' ' A' ' 62' ' ' CYS . 62.4 mt -80.57 -30.35 12.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 112.185 0.439 . . . . 0.7 112.185 -177.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -60.77 -25.02 66.21 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.316 0.579 . . . . 4.21 110.573 167.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.426 ' HB3' ' O ' ' A' ' 78' ' ' HIS . 8.4 t-160 -76.59 -7.23 54.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.404 -0.817 . . . . 2.9 109.736 176.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 9.8 m-70 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.003 -0.544 . . . . 0.92 110.786 177.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.792 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 94.2 m-85 . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 121.381 0.61 . . . . 1.48 111.888 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.564 HG13 ' HB3' ' A' ' 68' ' ' ARG . 59.0 t -133.64 142.16 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 CA-C-N 115.401 -0.818 . . . . 1.04 109.545 178.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.69 ' HA ' HD11 ' A' ' 79' ' ' ILE . 53.2 t -71.46 100.55 2.23 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.371 -0.603 . . . . 0.38 109.371 175.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -51.87 -28.85 17.46 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.375 0.607 . . . . 2.79 110.568 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -80.01 -36.8 35.34 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.07 -0.968 . . . . 2.77 113.12 -170.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.521 ' SG ' ' HD2' ' A' ' 67' ' ' LYS . 14.0 p -134.38 7.9 3.64 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 118.607 -1.237 . . . . 0.37 112.643 178.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.81 -19.24 16.8 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 121.039 -0.601 . . . . 0.43 113.86 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.521 ' HD2' ' SG ' ' A' ' 65' ' ' CYS . 55.9 mttm -73.21 128.4 35.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.215 0.507 . . . . 2.07 110.271 -177.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.564 ' HB3' HG13 ' A' ' 61' ' ' VAL . 31.5 ptt180 -115.15 168.92 9.51 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.46 0.648 . . . . 2.91 112.676 -170.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.513 ' HE2' ' ND1' ' A' ' 78' ' ' HIS . 48.5 m-85 -149.07 143.46 26.06 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 114.618 -1.174 . . . . 0.53 108.877 -177.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.497 HG12 HE21 ' A' ' 71' ' ' GLN . 21.6 t -74.06 -30.4 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 CA-C-N 114.945 -1.025 . . . . 0.71 110.319 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.497 HE21 HG12 ' A' ' 70' ' ' VAL . 18.8 mm-40 -100.09 129.23 46.11 Favored 'General case' 0 N--CA 1.424 -1.738 0 CA-C-N 116.23 -0.441 . . . . 1.98 110.791 -178.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.429 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 33.1 t -56.82 -40.0 75.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.217 -0.901 . . . . 1.52 110.444 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.8 t -62.76 -40.08 96.18 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.774 -0.648 . . . . 1.39 110.276 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -79.35 -30.13 42.51 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.828 0.347 . . . . 2.23 110.214 -175.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.792 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 1.1 tm? -69.94 -40.62 75.36 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.885 -0.783 . . . . 1.87 108.885 175.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 80' ' ' ARG . . . -68.15 -38.57 82.28 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 109.49 -0.559 . . . . 0.34 109.49 175.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -57.75 -42.3 83.68 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.547 0.689 . . . . 1.33 109.155 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.521 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 55.6 t60 -58.15 -53.69 55.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.679 -1.146 . . . . 0.46 111.61 177.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.69 HD11 ' HA ' ' A' ' 62' ' ' CYS . 64.7 mt -75.6 -21.6 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.848 -0.615 . . . . 0.7 111.774 -176.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 72.4 mtt180 -61.67 -16.86 52.49 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.935 0.398 . . . . 4.21 111.909 171.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -90.18 -2.67 58.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.362 0.601 . . . . 2.9 110.037 175.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.426 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 10.1 m-70 . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.175 -0.466 . . . . 0.92 111.024 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.626 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 13.3 m-85 . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 121.244 0.545 . . . . 1.48 111.074 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.837 HG22 ' HG2' ' A' ' 68' ' ' ARG . 66.7 t -124.42 136.79 59.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.383 -0.826 . . . . 1.04 110.214 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.629 ' HA ' HD11 ' A' ' 79' ' ' ILE . 31.4 t -67.2 104.18 1.4 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.297 -0.411 . . . . 0.38 110.111 176.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -55.03 -28.01 48.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.963 -0.562 . . . . 2.79 111.083 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.57 ' HD3' HG23 ' A' ' 79' ' ' ILE . 30.1 mtp180 -78.75 -38.17 39.38 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 113.431 0.9 . . . . 2.77 113.431 -173.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.1 p -133.34 -4.43 3.01 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 118.093 -1.443 . . . . 0.37 113.036 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.2 -10.32 65.47 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.528 -0.844 . . . . 0.43 114.197 173.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -75.97 140.48 42.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 117.679 0.74 . . . . 2.07 111.359 -177.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.837 ' HG2' HG22 ' A' ' 61' ' ' VAL . 53.4 mtt180 -103.05 160.87 14.25 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 113.157 0.799 . . . . 2.91 113.157 -174.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.577 ' HE2' ' ND1' ' A' ' 78' ' ' HIS . 38.8 m-85 -149.46 139.42 21.98 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 114.299 -1.319 . . . . 0.53 109.934 176.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.5 t -73.14 -30.52 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 CA-C-N 114.044 -1.435 . . . . 0.71 110.493 -177.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.402 ' HB2' ' HG2' ' A' ' 74' ' ' GLN . 18.4 mt-30 -101.65 129.39 47.77 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-N 116.271 -0.422 . . . . 1.98 110.091 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.5 m -55.53 -40.78 72.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.278 -0.874 . . . . 1.52 110.352 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.7 p -65.99 -35.5 80.75 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.52 -0.764 . . . . 1.39 111.27 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.402 ' HG2' ' HB2' ' A' ' 71' ' ' GLN . 17.1 mm100 -76.4 -31.84 58.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.88 -0.415 . . . . 2.23 109.88 -176.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.626 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 1.2 tm? -69.54 -40.78 76.67 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.613 -0.884 . . . . 1.87 108.613 175.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.93 -38.75 86.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.806 -0.634 . . . . 0.34 110.037 175.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -60.62 -42.66 97.32 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.467 -0.568 . . . . 1.33 109.467 174.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.577 ' ND1' ' HE2' ' A' ' 69' ' ' PHE . 65.5 t60 -54.27 -52.74 60.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.063 -0.972 . . . . 0.46 111.151 177.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.629 HD11 ' HA ' ' A' ' 62' ' ' CYS . 50.4 mt -76.2 -31.96 21.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.907 -0.588 . . . . 0.7 112.107 -177.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 29.9 mtm180 -68.08 -12.15 60.33 Favored 'General case' 0 N--CA 1.444 -0.767 0 O-C-N 122.022 -0.423 . . . . 4.21 111.357 173.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -96.3 2.54 52.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.589 -0.278 . . . . 2.9 110.785 173.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.531 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.6 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.953 0.406 . . . . 0.92 110.683 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.753 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 42.5 m-85 . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 120.953 0.406 . . . . 1.48 111.284 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.616 HG22 ' HB3' ' A' ' 68' ' ' ARG . 46.3 t -121.39 129.97 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.554 -0.748 . . . . 1.04 110.054 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 31.6 t -68.47 108.58 3.34 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.111 -0.495 . . . . 0.38 109.818 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.435 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -63.23 -24.57 67.93 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.336 0.589 . . . . 2.79 109.708 178.628 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -85.59 -25.09 26.89 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 113.427 0.899 . . . . 2.77 113.427 -170.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.7 p -140.16 12.58 2.41 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 118.411 -1.316 . . . . 0.37 112.683 171.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.08 -4.54 46.57 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 114.832 0.693 . . . . 0.43 114.832 169.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.509 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 45.4 mttp -89.42 136.66 32.9 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.655 0.727 . . . . 2.07 110.167 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.616 ' HB3' HG22 ' A' ' 61' ' ' VAL . 12.3 ptt180 -121.21 168.29 11.76 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 112.986 0.736 . . . . 2.91 112.986 -173.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.444 ' HD2' HD22 ' A' ' 75' ' ' LEU . 55.6 m-85 -148.99 149.64 31.51 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.025 -0.989 . . . . 0.53 109.57 -175.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.414 HG23 ' H ' ' A' ' 70' ' ' VAL . 2.3 t -70.64 -33.32 52.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 114.855 -1.066 . . . . 0.71 109.306 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -98.06 128.71 44.75 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-N 115.028 -0.987 . . . . 1.98 109.991 -172.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 p -57.69 -41.66 82.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.889 -0.596 . . . . 1.52 109.99 175.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.6 m -63.42 -40.03 96.09 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.357 -0.838 . . . . 1.39 110.935 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.406 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 7.0 tp60 -74.13 -33.26 63.49 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.278 -0.638 . . . . 2.23 109.278 -175.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.753 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 1.3 tm? -71.38 -39.96 70.9 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.121 -0.696 . . . . 1.87 109.121 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.09 -23.59 51.86 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.422 -0.511 . . . . 0.34 110.149 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -69.37 -36.58 76.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.431 -0.952 . . . . 1.33 108.431 169.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.657 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 36.1 t60 -61.7 -39.59 92.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.849 -1.069 . . . . 0.46 110.488 171.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.671 HG12 ' O ' ' A' ' 75' ' ' LEU . 49.7 mm -70.85 -39.39 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-O 121.072 0.463 . . . . 0.7 110.362 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.432 ' HA ' ' HD3' ' A' ' 80' ' ' ARG . 25.6 mmt180 -63.75 -20.76 66.0 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 120.906 0.384 . . . . 4.21 111.502 173.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -76.76 -7.36 55.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.27 0.557 . . . . 2.9 109.603 175.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.595 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 10.2 m-70 . . . . . 0 C--O 1.235 0.334 0 CA-C-N 115.633 -0.712 . . . . 0.92 110.86 176.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.528 ' HB3' HD22 ' A' ' 75' ' ' LEU . 77.1 m-85 . . . . . 0 N--CA 1.451 -0.411 0 CA-C-O 121.386 0.612 . . . . 1.48 111.266 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.616 ' HA ' ' HA ' ' A' ' 68' ' ' ARG . 35.2 t -127.67 142.06 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-N 115.849 -0.614 . . . . 1.04 109.546 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 64' ' ' ARG . 49.3 t -73.37 91.43 1.74 Allowed 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.598 -0.89 . . . . 0.38 108.598 174.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -58.73 -20.95 53.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.393 0.616 . . . . 2.79 109.518 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.547 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 30.4 mtp180 -68.03 -40.6 82.88 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.087 -0.96 . . . . 2.77 112.761 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.1 p -132.51 -4.84 3.32 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 118.365 -1.334 . . . . 0.37 113.101 178.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.24 -23.49 31.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.937 -0.649 . . . . 0.43 113.716 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -69.1 120.12 14.45 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 117.547 0.674 . . . . 2.07 111.729 -176.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.616 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 15.8 ptp180 -97.75 161.78 13.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.071 -0.513 . . . . 2.91 111.582 -178.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.412 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 79.2 m-85 -148.28 140.92 24.5 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 115.47 -0.786 . . . . 0.53 109.418 -177.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.6 t -77.88 -31.74 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 CA-C-N 114.983 -1.008 . . . . 0.71 110.289 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.498 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 34.5 mt-30 -96.53 129.3 43.93 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 115.872 -0.604 . . . . 1.98 109.962 -178.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.7 t -59.16 -40.48 85.73 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.292 -0.633 . . . . 1.52 109.292 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.7 t -58.91 -46.49 87.79 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.573 -0.74 . . . . 1.39 110.348 176.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.498 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 4.9 tp-100 -69.27 -38.73 78.52 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.133 -0.691 . . . . 2.23 109.133 -173.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 60' ' ' TYR . 52.2 tp -63.21 -57.29 10.97 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.226 -0.897 . . . . 1.87 110.426 176.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.566 ' O ' ' HB3' ' A' ' 80' ' ' ARG . . . -54.13 -39.77 66.77 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.791 -1.095 . . . . 0.34 110.279 177.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -55.11 -50.52 69.0 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.326 0.584 . . . . 1.33 109.575 174.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -62.98 -47.4 83.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.243 -0.889 . . . . 0.46 110.636 -176.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.506 HD11 ' HA ' ' A' ' 62' ' ' CYS . 55.6 mt -76.56 -27.7 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 115.793 -0.64 . . . . 0.7 112.159 -174.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.566 ' HB3' ' O ' ' A' ' 76' ' ' ALA . 1.1 ppt_? -63.91 -20.49 65.88 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 120.992 0.425 . . . . 4.21 110.491 179.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -90.05 -8.16 52.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 2.9 110.269 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.487 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 2.4 m-70 . . . . . 0 CA--C 1.514 -0.423 0 CA-C-O 121.551 0.691 . . . . 0.92 109.928 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 121.905 0.859 . . . . 1.48 111.365 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.633 ' HA ' ' HA ' ' A' ' 68' ' ' ARG . 6.5 p -119.91 142.84 33.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 114.74 -1.118 . . . . 1.04 109.178 176.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.504 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 9.5 t -63.18 107.88 1.15 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.825 -0.435 . . . . 0.38 109.825 175.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -57.98 -22.29 48.64 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.516 -0.766 . . . . 2.79 111.369 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -86.1 -44.55 12.17 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 113.135 0.791 . . . . 2.77 113.135 -174.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.5 p -129.44 6.25 5.25 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 118.576 -1.25 . . . . 0.37 112.737 -176.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.74 -6.59 83.21 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.758 -0.734 . . . . 0.43 114.663 169.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -80.75 122.34 27.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.909 0.855 . . . . 2.07 111.754 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.633 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 16.1 mtm180 -80.72 160.28 24.99 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.676 0.991 . . . . 2.91 113.676 -175.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.433 ' HE1' ' ND1' ' A' ' 78' ' ' HIS . 11.4 m-85 -147.49 144.5 28.62 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 114.171 -1.377 . . . . 0.53 109.726 176.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.1 t -76.01 -33.12 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.298 0 CA-C-N 114.345 -1.298 . . . . 0.71 110.586 -177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.454 HE21 ' HB3' ' A' ' 71' ' ' GLN . 3.1 mt-30 -109.19 141.01 42.05 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-O 121.069 0.461 . . . . 1.98 111.125 -176.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.5 t -64.99 -36.6 84.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.12 -0.945 . . . . 1.52 109.956 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 p -62.56 -47.34 84.29 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.485 -0.78 . . . . 1.39 110.447 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.529 ' HA ' ' HB3' ' A' ' 77' ' ' ASN . 97.0 mt-30 -72.68 -26.7 61.71 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.058 -0.519 . . . . 2.23 109.824 -176.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.603 ' O ' HG12 ' A' ' 79' ' ' ILE . 20.8 tp -62.42 -58.26 8.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.501 -0.772 . . . . 1.87 110.406 174.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -67.67 -25.05 65.51 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 116.228 -0.442 . . . . 0.34 110.34 176.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.529 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 25.6 t-20 -60.73 -43.48 97.83 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.675 -0.861 . . . . 1.33 108.675 170.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.58 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 43.7 t60 -62.34 -42.55 99.48 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.897 -1.047 . . . . 0.46 110.567 175.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.603 HG12 ' O ' ' A' ' 75' ' ' LEU . 42.3 mm -67.47 -38.93 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.788 -0.642 . . . . 0.7 110.931 -179.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 76' ' ' ALA . 12.6 mmm180 -56.69 -25.72 54.77 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 112.562 0.578 . . . . 4.21 112.562 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -87.24 -0.99 57.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.088 0.47 . . . . 2.9 110.593 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 5.7 m-70 . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 121.452 0.644 . . . . 0.92 110.907 177.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.524 ' CE1' ' HB3' ' A' ' 72' ' ' SER . 84.5 m-85 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 121.598 0.713 . . . . 1.48 110.45 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.895 HG22 ' HG2' ' A' ' 68' ' ' ARG . 75.0 t -138.4 140.03 40.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.173 -0.921 . . . . 1.04 108.971 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 26.1 t -70.98 103.47 2.68 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.658 -0.867 . . . . 0.38 108.658 173.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -7.09 46.26 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.459 0.647 . . . . 2.79 109.697 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -92.56 -23.65 18.99 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.428 -0.806 . . . . 2.77 112.289 -174.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.4 p -138.25 -2.13 1.86 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 118.665 -1.214 . . . . 0.37 112.632 168.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.6 14.64 59.53 Favored Glycine 0 CA--C 1.517 0.214 0 N-CA-C 114.701 0.64 . . . . 0.43 114.701 170.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.606 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 29.9 mmmt -99.95 142.86 30.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 117.876 0.838 . . . . 2.07 111.494 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.895 ' HG2' HG22 ' A' ' 61' ' ' VAL . 96.6 mtt180 -94.92 156.79 16.19 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.732 1.012 . . . . 2.91 113.732 -174.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.649 ' CE2' ' HB2' ' A' ' 78' ' ' HIS . 15.8 m-85 -151.74 141.72 22.1 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 114.156 -1.383 . . . . 0.53 109.2 172.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -84.24 -32.47 8.27 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 CA-C-N 115.198 -0.91 . . . . 0.71 110.152 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.675 ' HA ' HE21 ' A' ' 71' ' ' GLN . 0.0 OUTLIER -95.12 130.79 41.69 Favored 'General case' 0 N--CA 1.426 -1.655 0 N-CA-C 109.598 -0.519 . . . . 1.98 109.598 -178.374 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.524 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 12.9 p -62.58 -33.8 75.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.028 0.442 . . . . 1.52 110.19 178.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 p -65.91 -43.22 88.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.822 -0.626 . . . . 1.39 110.535 176.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.521 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 13.5 mm100 -76.57 -22.39 54.35 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.005 0.431 . . . . 2.23 110.037 -177.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.576 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 15.9 tp -64.27 -54.43 33.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.633 -0.712 . . . . 1.87 109.683 172.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.72 -25.93 65.9 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.765 -0.652 . . . . 0.34 110.764 175.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.421 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 7.9 t-20 -64.07 -36.28 83.51 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.921 -0.77 . . . . 1.33 108.921 172.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.649 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 58.1 t60 -66.58 -41.72 88.08 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.353 -0.84 . . . . 0.46 110.795 175.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.667 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 12.5 mm -68.04 -36.27 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.182 0.515 . . . . 0.7 109.761 176.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -57.66 -36.26 71.65 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.727 -0.669 . . . . 4.21 112.133 175.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -82.69 3.59 28.44 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.132 0.491 . . . . 2.9 110.715 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.667 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 3.7 m-70 . . . . . 0 C--N 1.326 -0.422 0 N-CA-C 109.083 -0.71 . . . . 0.92 109.083 171.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 N--CA 1.448 -0.557 0 CA-C-O 120.916 0.388 . . . . 1.48 110.442 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.602 ' HA ' ' HA ' ' A' ' 68' ' ' ARG . 23.6 t -126.85 142.89 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-N 116.187 -0.461 . . . . 1.04 109.771 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.937 ' HA ' HD11 ' A' ' 79' ' ' ILE . 48.4 t -70.32 99.6 1.58 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.327 -0.619 . . . . 0.38 109.327 176.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -58.45 -16.4 14.89 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.351 0.596 . . . . 2.79 110.776 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -95.8 -22.29 17.58 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 113.566 0.95 . . . . 2.77 113.566 -173.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.8 p -139.94 3.23 2.0 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 118.219 -1.393 . . . . 0.37 112.776 172.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.4 -14.69 61.9 Favored Glycine 0 C--O 1.227 -0.332 0 C-N-CA 120.967 -0.635 . . . . 0.43 113.97 172.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -81.11 130.0 34.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.397 0.599 . . . . 2.07 111.057 -177.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.602 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 13.5 ptt180 -104.02 170.91 7.64 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.172 0.805 . . . . 2.91 113.172 -170.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.441 ' HE1' ' ND1' ' A' ' 78' ' ' HIS . 30.0 m-85 -143.92 177.96 8.18 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.411 -1.268 . . . . 0.53 108.888 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.8 t -112.06 -19.03 7.17 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 N-CA-C 108.311 -0.996 . . . . 0.71 108.311 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.601 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 30.1 mt-30 -112.1 129.01 56.37 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 114.203 -1.362 . . . . 1.98 109.692 -167.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 t -58.37 -46.74 85.75 Favored 'General case' 0 CA--C 1.516 -0.344 0 O-C-N 123.501 0.5 . . . . 1.52 109.98 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.5 p -57.02 -46.52 82.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.337 -0.847 . . . . 1.39 110.683 177.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.601 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 16.1 mm100 -71.45 -36.96 71.41 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.513 -0.551 . . . . 2.23 109.513 -172.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.9 tp -63.14 -57.02 11.94 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.415 -0.811 . . . . 1.87 110.664 176.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.15 -38.78 74.03 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.231 -0.895 . . . . 0.34 110.281 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -58.7 -46.43 87.33 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.465 0.65 . . . . 1.33 109.444 175.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.441 ' ND1' ' HE1' ' A' ' 69' ' ' PHE . 48.0 t60 -61.2 -47.31 86.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.831 -1.077 . . . . 0.46 110.984 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.937 HD11 ' HA ' ' A' ' 62' ' ' CYS . 70.4 mt -80.06 -22.66 11.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.701 -0.681 . . . . 0.7 112.135 -175.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -58.73 -24.61 61.84 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 120.949 0.404 . . . . 4.21 111.362 171.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -88.52 8.78 26.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.181 0.515 . . . . 2.9 110.526 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.977 -0.556 . . . . 0.92 110.65 176.738 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.591 ' HB2' ' O ' ' A' ' 69' ' ' PHE . 87.5 m-85 . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.994 0.426 . . . . 1.48 111.14 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.62 HG22 ' HB3' ' A' ' 68' ' ' ARG . 24.3 t -127.02 138.01 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.699 0 N-CA-C 109.851 -0.426 . . . . 1.04 109.851 175.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.418 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 41.4 t -71.81 102.94 2.98 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.846 -0.616 . . . . 0.38 109.906 177.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.1 -15.75 57.7 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.321 0.581 . . . . 2.79 110.167 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.404 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 53.5 mtt180 -87.11 -30.45 21.09 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.619 -0.718 . . . . 2.77 112.417 -172.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.2 p -137.98 2.17 2.33 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 118.668 -1.213 . . . . 0.37 112.99 173.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.45 5.99 81.43 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 114.75 0.66 . . . . 0.43 114.75 170.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 30.0 mmmt -96.81 143.56 27.61 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.899 0.849 . . . . 2.07 109.858 177.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.62 ' HB3' HG22 ' A' ' 61' ' ' VAL . 13.1 ptt-85 -118.11 167.21 11.69 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 113.072 0.767 . . . . 2.91 113.072 -171.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.591 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 14.7 m-85 -148.64 151.05 34.32 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.63 -1.168 . . . . 0.53 109.538 -177.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 81.6 t -85.51 -30.93 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.255 0 CA-C-N 115.056 -0.975 . . . . 0.71 110.325 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.425 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 37.0 mt-30 -99.23 136.85 38.57 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 116.182 -0.463 . . . . 1.98 111.303 -174.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.428 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 4.0 m -52.65 -51.32 60.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.759 -0.655 . . . . 1.52 110.731 178.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.1 m -61.48 -38.86 88.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.47 -0.786 . . . . 1.39 111.258 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.521 ' HB3' ' CD1' ' A' ' 69' ' ' PHE . 22.1 mm-40 -71.47 -29.08 64.43 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.45 -0.341 . . . . 2.23 110.661 -172.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.577 ' O ' HG12 ' A' ' 79' ' ' ILE . 34.0 tp -65.41 -55.86 15.74 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.22 -0.445 . . . . 1.87 110.33 176.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.54 -23.96 65.49 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 116.038 -0.528 . . . . 0.34 110.434 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.472 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 8.7 t30 -61.93 -40.76 96.6 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.051 -0.722 . . . . 1.33 109.051 169.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.56 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 49.0 t60 -66.19 -42.08 89.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.066 -0.97 . . . . 0.46 110.525 175.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.577 HG12 ' O ' ' A' ' 75' ' ' LEU . 31.7 mm -67.13 -32.44 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 0.7 110.697 178.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 80' ' ' ARG . 2.8 mmm180 -57.4 -26.4 61.04 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 112.518 0.562 . . . . 4.21 112.518 178.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -86.87 5.16 38.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.344 0.593 . . . . 2.9 110.3 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.537 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 7.9 m-70 . . . . . 0 C--N 1.321 -0.654 0 N-CA-C 108.696 -0.853 . . . . 0.92 108.696 171.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 1.097 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 67.2 m-85 . . . . . 0 CA--C 1.518 -0.262 0 CA-C-O 121.044 0.449 . . . . 1.48 111.679 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.557 HG13 ' HB3' ' A' ' 68' ' ' ARG . 23.2 t -125.64 148.54 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 CA-C-N 115.62 -0.718 . . . . 1.04 110.084 177.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 52.9 t -81.01 105.51 12.29 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.684 -0.689 . . . . 0.38 109.7 175.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.84 -22.64 64.42 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.404 0.621 . . . . 2.79 109.928 176.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -84.23 -28.27 27.38 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.177 -0.919 . . . . 2.77 113.111 -171.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.1 p -137.88 -2.28 1.92 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 118.546 -1.262 . . . . 0.37 112.438 174.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.77 -17.47 59.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.43 113.805 174.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -78.27 141.37 38.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 117.463 0.632 . . . . 2.07 111.031 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.557 ' HB3' HG13 ' A' ' 61' ' ' VAL . 8.4 ptp85 -119.37 163.31 17.38 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.108 0.48 . . . . 2.91 112.106 -172.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.45 ' HE2' ' ND1' ' A' ' 78' ' ' HIS . 5.6 m-85 -141.32 146.27 36.5 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 122.114 0.959 . . . . 0.53 111.334 -173.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.1 t -72.39 -38.12 59.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 113.546 -1.661 . . . . 0.71 110.18 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -101.32 129.17 47.25 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-N 115.419 -0.81 . . . . 1.98 109.571 -170.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.3 p -55.26 -43.41 74.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.806 0.691 . . . . 1.52 110.61 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.7 p -65.71 -42.0 91.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.432 -0.803 . . . . 1.39 111.426 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.416 ' NE2' HD22 ' A' ' 77' ' ' ASN . 49.0 tp60 -75.33 -28.65 59.71 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.406 -0.961 . . . . 2.23 108.406 -175.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 1.097 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 2.6 tm? -69.18 -49.23 58.55 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.01 -0.996 . . . . 1.87 109.337 176.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.49 83.71 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.591 -0.731 . . . . 0.34 110.265 172.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.416 HD22 ' NE2' ' A' ' 74' ' ' GLN . 36.2 t30 -58.69 -41.38 86.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.295 0.569 . . . . 1.33 109.869 175.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.53 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 23.6 t60 -59.37 -56.1 26.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.111 -0.95 . . . . 0.46 111.158 178.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.464 HD12 ' HD2' ' A' ' 78' ' ' HIS . 2.1 mp -66.85 -30.46 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.439 -0.346 . . . . 0.7 111.772 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -56.28 -26.33 51.48 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 111.756 0.28 . . . . 4.21 111.756 172.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -80.88 -7.03 59.36 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.253 0.549 . . . . 2.9 110.406 178.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.92 110.955 179.52 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.443 ' CE2' ' HA ' ' A' ' 72' ' ' SER . 19.6 m-85 . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 121.445 0.641 . . . . 1.48 111.101 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.956 HG22 ' HG2' ' A' ' 68' ' ' ARG . 64.0 t -117.93 137.14 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 115.289 -0.869 . . . . 1.04 110.407 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.677 ' SG ' ' HB2' ' A' ' 64' ' ' ARG . 42.8 t -74.53 94.01 2.56 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 107.938 -1.134 . . . . 0.38 107.938 170.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -63.76 -14.09 49.56 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.308 0.575 . . . . 2.79 109.775 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.677 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 17.3 mtp180 -67.98 -54.01 21.74 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.343 -0.844 . . . . 2.77 111.815 175.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.2 p -121.05 1.82 10.39 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 118.802 -1.159 . . . . 0.37 112.841 -176.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.4 11.96 79.39 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 120.916 -0.659 . . . . 0.43 114.119 173.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -95.82 134.16 39.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 117.754 0.777 . . . . 2.07 111.282 177.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.956 ' HG2' HG22 ' A' ' 61' ' ' VAL . 53.3 mtm-85 -97.31 157.54 15.92 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 113.151 0.797 . . . . 2.91 113.151 -177.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 78' ' ' HIS . 12.5 m-85 -144.43 137.77 27.23 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.362 -1.29 . . . . 0.53 109.769 176.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.5 t -82.29 -30.17 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 CA-C-N 114.376 -1.284 . . . . 0.71 110.921 -175.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.452 ' HB2' ' CG ' ' A' ' 74' ' ' GLN . 45.8 mt-30 -98.39 129.09 45.04 Favored 'General case' 0 N--CA 1.423 -1.799 0 O-C-N 122.27 -0.269 . . . . 1.98 110.297 -174.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.443 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 31.7 m -50.34 -52.51 36.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.479 0.487 . . . . 1.52 111.69 -170.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.0 m -68.42 -25.33 64.97 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.77 -0.65 . . . . 1.39 111.624 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.452 ' CG ' ' HB2' ' A' ' 71' ' ' GLN . 13.6 mm100 -78.13 -21.53 50.21 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 120.746 -0.382 . . . . 2.23 110.568 -173.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.4 tp -65.9 -53.9 33.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.404 0.621 . . . . 1.87 109.646 172.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.52 -36.26 75.76 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.159 -0.928 . . . . 0.34 110.17 173.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.41 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 24.5 t-20 -59.25 -45.77 90.27 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.484 -0.561 . . . . 1.33 109.484 175.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 69' ' ' PHE . 69.6 t60 -58.15 -51.45 69.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.827 -0.624 . . . . 0.46 111.049 178.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.621 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 31.7 mt -72.97 -27.28 24.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.297 -0.41 . . . . 0.7 111.844 -176.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -72.34 1.85 7.12 Favored 'General case' 0 N--CA 1.446 -0.649 0 O-C-N 121.922 -0.486 . . . . 4.21 111.652 171.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.47 ' HB2' ' O ' ' A' ' 78' ' ' HIS . 38.9 m80 -98.41 -2.41 39.18 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.777 -0.453 . . . . 2.9 109.777 169.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.621 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.235 0.312 0 CA-C-N 115.978 -0.555 . . . . 0.92 111.785 -175.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.509 ' HB3' HD22 ' A' ' 75' ' ' LEU . 22.7 m-85 . . . . . 0 CA--C 1.516 -0.335 0 N-CA-C 109.568 -0.53 . . . . 1.48 109.568 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.634 HG22 ' HB3' ' A' ' 68' ' ' ARG . 22.2 t -122.7 142.83 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-O 121.046 0.451 . . . . 1.04 110.464 -178.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.544 ' HA ' HD11 ' A' ' 79' ' ' ILE . 51.3 t -74.78 109.31 8.15 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.741 -0.663 . . . . 0.38 109.479 176.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.59 -22.95 64.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.078 -0.51 . . . . 2.79 110.981 178.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.527 ' HB2' ' CD2' ' A' ' 82' ' ' HIS . 78.1 mtt180 -87.58 -31.93 19.61 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 113.394 0.887 . . . . 2.77 113.394 -171.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.4 p -132.9 -1.95 3.3 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 118.103 -1.439 . . . . 0.37 112.759 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.45 -11.3 72.43 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.524 -0.846 . . . . 0.43 114.192 173.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -82.04 141.22 33.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.385 0.592 . . . . 2.07 110.776 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.634 ' HB3' HG22 ' A' ' 61' ' ' VAL . 23.2 ptt180 -121.4 168.41 11.71 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.593 0.59 . . . . 2.91 112.593 -173.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.449 ' CE2' ' HG3' ' A' ' 74' ' ' GLN . 75.7 m-85 -146.02 178.13 8.44 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 114.994 -1.003 . . . . 0.53 109.58 -173.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -115.47 -23.7 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.236 0 N-CA-C 108.265 -1.013 . . . . 0.71 108.265 178.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.686 ' HB2' ' HB3' ' A' ' 74' ' ' GLN . 61.6 mt-30 -97.43 128.05 43.89 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 114.7 -1.136 . . . . 1.98 109.444 -175.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.8 t -62.87 -42.75 99.88 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.49 -0.559 . . . . 1.52 109.49 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.4 t -63.2 -42.09 99.26 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.538 -0.756 . . . . 1.39 109.917 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.686 ' HB3' ' HB2' ' A' ' 71' ' ' GLN . 6.5 tp-100 -72.78 -32.64 65.74 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.988 -0.745 . . . . 2.23 108.988 -173.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.509 HD22 ' HB3' ' A' ' 60' ' ' TYR . 39.5 tp -64.14 -57.25 10.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.856 -1.066 . . . . 1.87 110.145 176.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.5 ' O ' ' HG3' ' A' ' 80' ' ' ARG . . . -58.23 -37.81 75.59 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.365 -0.834 . . . . 0.34 110.453 174.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -58.74 -45.26 90.07 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.674 -0.491 . . . . 1.33 109.674 175.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.444 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 73.8 t60 -58.39 -53.44 58.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.638 -0.71 . . . . 0.46 110.848 178.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.544 HD11 ' HA ' ' A' ' 62' ' ' CYS . 38.8 mt -73.84 -23.72 19.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.451 -0.795 . . . . 0.7 112.327 -175.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 16.3 mtm180 -55.51 -29.65 59.23 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.92 0.391 . . . . 4.21 111.723 173.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -91.57 22.09 4.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.699 0.762 . . . . 2.9 110.271 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.527 ' CD2' ' HB2' ' A' ' 64' ' ' ARG . 1.6 m-70 . . . . . 0 C--N 1.321 -0.641 0 CA-C-O 121.483 0.659 . . . . 0.92 109.826 172.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.609 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 5.2 m-85 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 121.243 0.544 . . . . 1.48 111.266 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.501 HG22 ' HB3' ' A' ' 68' ' ' ARG . 54.7 t -113.77 136.79 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 115.343 -0.844 . . . . 1.04 110.169 177.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 64' ' ' ARG . 14.6 t -73.15 98.83 2.67 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.406 -0.961 . . . . 0.38 108.406 171.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.2 -17.91 65.02 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.478 -0.564 . . . . 2.79 109.478 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.523 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 51.2 mtp180 -70.51 -42.09 71.75 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.451 -0.795 . . . . 2.77 111.489 -177.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.2 p -133.8 4.42 3.57 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 118.985 -1.086 . . . . 0.37 112.688 177.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.33 -11.33 72.38 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 114.624 0.61 . . . . 0.43 114.624 170.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 62' ' ' CYS . 53.9 mttm -88.52 122.91 32.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.713 0.757 . . . . 2.07 110.898 -176.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.501 ' HB3' HG22 ' A' ' 61' ' ' VAL . 21.2 ptt180 -107.22 168.65 9.07 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 112.558 0.577 . . . . 2.91 112.558 -174.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.543 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 37.7 m-85 -140.72 143.37 34.97 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 115.052 -0.976 . . . . 0.53 109.75 -178.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.2 t -68.65 -27.22 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 CA-C-N 114.326 -1.306 . . . . 0.71 110.604 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.413 ' HB3' HE21 ' A' ' 71' ' ' GLN . 4.7 mt-30 -108.29 130.69 55.17 Favored 'General case' 0 N--CA 1.429 -1.525 0 CA-C-O 120.92 0.391 . . . . 1.98 110.38 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 m -56.41 -39.64 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.567 -0.742 . . . . 1.52 110.603 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.0 t -59.58 -43.75 93.53 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.674 -0.694 . . . . 1.39 110.501 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -75.48 -32.35 60.54 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.536 -0.302 . . . . 2.23 110.362 -174.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.732 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 2.2 tm? -71.17 -38.9 72.14 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.313 -0.625 . . . . 1.87 109.313 177.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' A' ' 80' ' ' ARG . . . -75.68 -29.97 59.22 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.094 -0.643 . . . . 0.34 109.939 176.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -62.24 -37.79 86.77 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.368 -0.975 . . . . 1.33 108.368 170.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.732 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 50.7 t60 -58.86 -49.25 78.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.725 -1.125 . . . . 0.46 110.451 173.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.648 HG12 ' O ' ' A' ' 75' ' ' LEU . 33.1 mm -63.76 -39.87 86.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.904 -0.589 . . . . 0.7 110.799 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 88.1 mtt180 -55.26 -31.26 61.4 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 113.137 0.791 . . . . 4.21 113.137 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.479 ' NE2' ' HA ' ' A' ' 78' ' ' HIS . 30.4 p80 -99.44 29.77 3.86 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.444 0.64 . . . . 2.9 111.121 176.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.495 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.8 m-70 . . . . . 0 C--N 1.327 -0.405 0 N-CA-C 109.102 -0.703 . . . . 0.92 109.102 168.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.501 ' HB3' HD22 ' A' ' 75' ' ' LEU . 97.5 m-85 . . . . . 0 N--CA 1.454 -0.233 0 CA-C-O 121.33 0.586 . . . . 1.48 111.327 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.825 HG22 ' HG2' ' A' ' 68' ' ' ARG . 95.3 t -128.83 134.58 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 CA-C-N 115.563 -0.744 . . . . 1.04 110.864 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.68 ' HA ' HD11 ' A' ' 79' ' ' ILE . 50.1 t -71.93 93.54 1.36 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.709 -0.849 . . . . 0.38 108.709 173.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.94 -19.4 17.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.079 0.466 . . . . 2.79 110.481 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.463 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 28.2 mtp180 -74.29 -44.63 51.95 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.665 -0.698 . . . . 2.77 112.531 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.54 ' SG ' ' HG2' ' A' ' 67' ' ' LYS . 18.1 p -123.45 -17.62 6.46 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 118.205 -1.398 . . . . 0.37 112.671 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.6 1.77 43.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.545 -0.836 . . . . 0.43 113.85 176.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.54 ' HG2' ' SG ' ' A' ' 65' ' ' CYS . 29.1 mmmt -84.33 138.96 32.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 117.587 0.693 . . . . 2.07 110.523 178.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.825 ' HG2' HG22 ' A' ' 61' ' ' VAL . 75.8 mtt85 -107.66 158.18 17.48 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 113.83 1.048 . . . . 2.91 113.83 -171.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -146.15 168.7 20.36 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.009 -1.451 . . . . 0.53 109.228 178.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 t -114.64 -24.6 3.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 N-CA-C 108.178 -1.045 . . . . 0.71 108.178 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.579 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 69.8 mm-40 -93.44 128.41 39.51 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-N 114.686 -1.143 . . . . 1.98 109.756 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.7 t -59.8 -41.47 91.28 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.999 -0.741 . . . . 1.52 108.999 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.8 t -59.85 -46.46 89.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.084 -0.962 . . . . 1.39 110.472 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.579 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 85.4 mt-30 -72.64 -32.42 65.87 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 110.242 -0.281 . . . . 2.23 110.242 -173.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 60' ' ' TYR . 31.5 tp -62.72 -57.4 11.1 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.101 -0.5 . . . . 1.87 110.115 175.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.16 -38.46 73.59 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.361 -0.836 . . . . 0.34 110.23 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -59.29 -45.13 92.08 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.526 -0.546 . . . . 1.33 109.526 175.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -60.95 -46.88 88.95 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.393 -0.821 . . . . 0.46 111.326 -178.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.68 HD11 ' HA ' ' A' ' 62' ' ' CYS . 59.6 mt -80.68 -23.04 11.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.965 -0.561 . . . . 0.7 111.794 -175.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -69.99 0.17 6.44 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 122.052 -0.405 . . . . 4.21 111.447 171.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -112.83 22.68 14.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.087 0.47 . . . . 2.9 109.852 172.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.426 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 115.837 -0.619 . . . . 0.92 111.11 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.408 ' HA ' HD22 ' A' ' 75' ' ' LEU . 87.9 m-85 . . . . . 0 N--CA 1.448 -0.53 0 CA-C-O 121.048 0.451 . . . . 1.48 110.904 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.531 HG13 ' HB3' ' A' ' 68' ' ' ARG . 30.4 t -140.66 144.51 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 115.706 -0.679 . . . . 1.04 109.461 176.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.504 ' SG ' ' HB2' ' A' ' 64' ' ' ARG . 42.3 t -77.41 107.82 10.11 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.081 -0.509 . . . . 0.38 110.087 177.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.23 -19.04 65.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.396 0.617 . . . . 2.79 109.909 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.504 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 18.2 mtp180 -79.36 -35.64 40.57 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 113.067 0.766 . . . . 2.77 113.067 -176.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.5 p -140.1 3.96 2.02 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 118.302 -1.359 . . . . 0.37 113.171 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.53 -22.27 36.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.446 -0.883 . . . . 0.43 113.79 174.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -66.87 125.6 26.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 117.489 0.644 . . . . 2.07 111.396 -177.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.531 ' HB3' HG13 ' A' ' 61' ' ' VAL . 14.8 ptp180 -105.33 164.99 11.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.016 -0.538 . . . . 2.91 111.143 -176.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -144.6 149.65 36.14 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 121.377 0.608 . . . . 0.53 110.131 -173.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.0 t -77.21 -36.99 25.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 CA-C-N 114.961 -1.018 . . . . 0.71 109.672 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -102.23 140.58 36.32 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 115.718 -0.674 . . . . 1.98 110.862 -170.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.8 p -63.25 -39.45 94.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.584 -0.734 . . . . 1.52 110.153 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.2 t -61.4 -48.29 81.91 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.728 -0.669 . . . . 1.39 110.287 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -64.74 -38.84 92.34 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 109.1 -0.704 . . . . 2.23 109.1 -176.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 60' ' ' TYR . 63.2 tp -61.84 -60.54 3.5 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.187 -0.915 . . . . 1.87 110.54 179.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.4 -43.66 68.08 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.424 -0.807 . . . . 0.34 110.399 176.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -59.63 -42.39 92.6 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.451 -0.574 . . . . 1.33 109.451 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.443 ' HD2' HD12 ' A' ' 79' ' ' ILE . 71.1 t60 -62.09 -53.06 60.73 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.36 -0.836 . . . . 0.46 111.205 -177.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.506 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 2.1 mp -69.76 -33.01 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 116.412 -0.358 . . . . 0.7 111.134 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -62.21 -24.44 67.22 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.967 0.413 . . . . 4.21 111.112 174.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -83.47 -4.61 58.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.908 -0.587 . . . . 2.9 110.419 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.506 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 5.0 m-70 . . . . . 0 C--N 1.326 -0.429 0 CA-C-O 121.034 0.445 . . . . 0.92 111.587 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.492 ' HB2' ' O ' ' A' ' 69' ' ' PHE . 75.8 m-85 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 121.681 0.753 . . . . 1.48 111.741 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.647 HG22 ' HB3' ' A' ' 68' ' ' ARG . 38.4 t -128.01 139.96 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 CA-C-N 115.323 -0.853 . . . . 1.04 109.812 177.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.41 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 52.4 t -72.0 101.1 2.62 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.775 -0.824 . . . . 0.38 108.775 175.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -59.81 -16.58 29.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.224 0.535 . . . . 2.79 110.607 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -87.56 -35.72 17.96 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 115.83 -0.623 . . . . 2.77 112.541 -173.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.1 p -129.85 4.11 4.94 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 118.404 -1.318 . . . . 0.37 112.101 177.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.5 -15.13 57.84 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 120.907 -0.663 . . . . 0.43 113.909 172.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -78.57 133.92 37.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.432 0.616 . . . . 2.07 110.853 -177.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.647 ' HB3' HG22 ' A' ' 61' ' ' VAL . 16.8 ptt180 -113.73 168.97 9.33 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.481 0.658 . . . . 2.91 112.493 -173.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.492 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 15.1 m-85 -147.48 153.4 39.49 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 114.489 -1.232 . . . . 0.53 109.017 -177.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.2 -33.57 6.59 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 CA-C-N 115.35 -0.841 . . . . 0.71 109.17 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.557 HE21 ' HG3' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -89.59 127.46 35.9 Favored 'General case' 0 N--CA 1.414 -2.23 0 CA-C-N 115.619 -0.719 . . . . 1.98 109.414 -177.03 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.9 t -63.77 -36.67 84.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.73 -0.668 . . . . 1.52 109.815 -178.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.0 t -65.94 -39.0 90.08 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.338 -0.846 . . . . 1.39 110.072 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.557 ' HG3' HE21 ' A' ' 71' ' ' GLN . 85.3 mm-40 -78.95 -23.28 44.69 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.011 0.434 . . . . 2.23 109.906 -174.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.431 HD22 ' HB3' ' A' ' 60' ' ' TYR . 24.0 tp -63.9 -54.13 39.58 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.588 -0.733 . . . . 1.87 109.953 172.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.53 86.86 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.066 -0.97 . . . . 0.34 109.94 173.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.473 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 47.0 t30 -56.67 -45.18 81.86 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.545 -0.539 . . . . 1.33 109.545 175.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 79.5 t60 -57.97 -53.05 62.66 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.623 -0.717 . . . . 0.46 110.979 178.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 47.0 mt -76.48 -22.94 15.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.882 -0.599 . . . . 0.7 112.02 -174.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 80' ' ' ARG . 1.4 mmp_? -63.07 -17.96 62.84 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 121.927 -0.483 . . . . 4.21 111.402 172.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -99.18 18.96 16.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.186 0.517 . . . . 2.9 110.524 177.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.507 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 115.801 -0.636 . . . . 0.92 110.522 175.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.532 ' HB2' ' O ' ' A' ' 69' ' ' PHE . 41.0 m-85 . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 121.179 0.514 . . . . 1.48 110.248 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.683 ' HB ' ' HG2' ' A' ' 68' ' ' ARG . 7.6 p -123.15 139.97 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 CA-C-N 115.862 -0.608 . . . . 1.04 110.096 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.699 ' SG ' HG12 ' A' ' 79' ' ' ILE . 33.7 t -71.73 95.57 1.5 Allowed 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.556 -0.905 . . . . 0.38 108.556 173.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.35 -10.1 10.21 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.067 0.461 . . . . 2.79 110.924 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.619 ' HD3' HG23 ' A' ' 79' ' ' ILE . 29.6 mtp180 -81.44 -35.06 31.07 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.996 -0.547 . . . . 2.77 112.465 177.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 23.4 p -129.96 -4.07 4.55 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 118.741 -1.184 . . . . 0.37 112.981 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.05 -8.79 77.58 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.794 -0.717 . . . . 0.43 113.762 175.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -88.49 130.08 35.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 117.415 0.607 . . . . 2.07 111.364 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.683 ' HG2' ' HB ' ' A' ' 61' ' ' VAL . 21.2 mtm180 -91.45 163.42 14.18 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 113.679 0.992 . . . . 2.91 113.679 -175.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.532 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 15.2 m-85 -143.09 147.26 34.73 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 113.842 -1.526 . . . . 0.53 108.856 177.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.9 t -84.38 -32.5 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 CA-C-N 114.975 -1.011 . . . . 0.71 110.256 -176.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.497 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 47.9 mt-30 -97.63 131.63 44.02 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 116.226 -0.443 . . . . 1.98 110.23 -176.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 38.1 t -58.13 -42.46 85.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.194 0.521 . . . . 1.52 109.739 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 m -60.37 -46.04 91.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.305 -0.862 . . . . 1.39 110.575 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.497 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 29.9 mm-40 -75.66 -25.77 57.11 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.476 -0.329 . . . . 2.23 110.293 -174.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 60' ' ' TYR . 34.3 tp -63.2 -57.22 11.24 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.285 0.564 . . . . 1.87 110.008 173.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.59 -38.82 75.53 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.15 -0.932 . . . . 0.34 109.914 174.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -56.87 -46.82 81.58 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.482 -0.562 . . . . 1.33 109.482 175.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -60.31 -52.29 65.88 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.157 -0.929 . . . . 0.46 110.796 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.699 HG12 ' SG ' ' A' ' 62' ' ' CYS . 15.1 mt -71.29 -27.79 30.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.195 -0.457 . . . . 0.7 111.817 -176.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -62.85 -20.57 65.22 Favored 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 122.072 -0.393 . . . . 4.21 111.101 172.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -86.85 2.97 47.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.085 0.469 . . . . 2.9 110.575 177.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.489 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.7 m-70 . . . . . 0 C--N 1.327 -0.382 0 CA-C-O 121.366 0.603 . . . . 0.92 110.237 175.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.555 ' HB3' HD22 ' A' ' 75' ' ' LEU . 87.4 m-85 . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 121.136 0.493 . . . . 1.48 110.744 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.694 ' HB ' ' HG2' ' A' ' 68' ' ' ARG . 7.5 p -128.72 142.74 43.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.364 -0.834 . . . . 1.04 109.761 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.816 ' HA ' HD11 ' A' ' 79' ' ' ILE . 39.3 t -68.72 104.04 1.9 Allowed 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.328 -0.619 . . . . 0.38 109.328 175.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -48.88 -31.68 7.63 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 123.923 0.764 . . . . 2.79 111.478 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.419 ' HB2' ' CD2' ' A' ' 82' ' ' HIS . 82.0 mtt180 -82.36 -47.86 11.82 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 113.048 0.759 . . . . 2.77 113.048 -174.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.6 p -114.76 -4.49 12.7 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 118.754 -1.178 . . . . 0.37 112.093 -173.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.69 -1.53 85.55 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.852 -0.689 . . . . 0.43 113.968 173.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -82.7 120.45 25.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.649 0.724 . . . . 2.07 111.538 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.694 ' HG2' ' HB ' ' A' ' 61' ' ' VAL . 75.0 mtm180 -79.67 158.41 27.01 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.842 -0.617 . . . . 2.91 112.596 178.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -141.78 147.81 37.9 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 114.708 -1.133 . . . . 0.53 110.137 -177.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.1 t -81.14 -33.52 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 CA-C-N 114.006 -1.452 . . . . 0.71 110.153 -178.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.608 ' HB2' ' CB ' ' A' ' 74' ' ' GLN . 16.5 mm-40 -97.19 128.2 43.86 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-N 115.846 -0.615 . . . . 1.98 110.003 -175.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.9 m -59.63 -44.67 93.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.805 -0.634 . . . . 1.52 109.722 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.3 t -66.94 -36.51 82.39 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.336 -0.847 . . . . 1.39 110.38 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.608 ' CB ' ' HB2' ' A' ' 71' ' ' GLN . 6.0 tp-100 -74.77 -29.55 61.16 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.101 -0.703 . . . . 2.23 109.101 -174.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' A' ' 60' ' ' TYR . 25.0 tp -60.97 -59.74 4.89 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.698 -0.683 . . . . 1.87 110.238 173.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.64 -39.46 70.89 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.026 -0.988 . . . . 0.34 110.166 176.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -62.14 -43.35 99.03 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.311 -0.626 . . . . 1.33 109.311 177.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.451 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 71.6 t60 -58.78 -51.2 70.98 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.429 -0.805 . . . . 0.46 110.39 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.816 HD11 ' HA ' ' A' ' 62' ' ' CYS . 10.6 mt -71.36 -33.29 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.127 -0.488 . . . . 0.7 111.737 -177.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -62.21 -19.79 63.51 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 111.739 0.274 . . . . 4.21 111.739 174.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -89.7 5.82 44.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.915 0.388 . . . . 2.9 110.782 175.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.54 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 2.0 m-70 . . . . . 0 C--N 1.327 -0.387 0 N-CA-C 109.443 -0.577 . . . . 0.92 109.443 172.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 N--CA 1.451 -0.416 0 CA-C-O 121.593 0.711 . . . . 1.48 111.345 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.519 HG22 ' HB3' ' A' ' 68' ' ' ARG . 43.6 t -126.13 146.65 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-N 114.769 -1.105 . . . . 1.04 109.745 178.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.798 ' HA ' HD11 ' A' ' 79' ' ' ILE . 47.8 t -69.05 94.71 0.67 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.667 -0.864 . . . . 0.38 108.667 174.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -56.64 -20.01 19.13 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.562 0.696 . . . . 2.79 110.164 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -87.54 -26.15 23.3 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.137 -0.938 . . . . 2.77 113.193 -172.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.1 p -134.7 -5.38 2.5 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 117.96 -1.496 . . . . 0.37 112.86 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.69 -5.27 66.78 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.817 -0.706 . . . . 0.43 114.143 173.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -89.1 145.84 25.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.569 0.684 . . . . 2.07 110.654 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.519 ' HB3' HG22 ' A' ' 61' ' ' VAL . 12.2 ptm180 -123.9 172.07 9.2 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.858 0.688 . . . . 2.91 112.858 -171.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.524 ' HB2' HD23 ' A' ' 75' ' ' LEU . 13.5 m-85 -141.89 170.72 15.19 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 115.022 -0.99 . . . . 0.53 109.037 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -105.53 -21.82 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.292 0 N-CA-C 107.464 -1.31 . . . . 0.71 107.464 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.567 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 11.4 mm-40 -102.81 128.09 49.71 Favored 'General case' 0 N--CA 1.424 -1.732 0 CA-C-N 113.902 -1.499 . . . . 1.98 108.85 -178.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.6 t -60.46 -43.18 97.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.237 0.541 . . . . 1.52 109.81 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.2 t -67.92 -32.37 72.79 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.585 -0.734 . . . . 1.39 110.661 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.567 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 16.9 mt-30 -79.26 -27.77 42.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.381 -0.528 . . . . 2.23 109.915 -175.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.543 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 1.3 tm? -72.31 -39.77 68.0 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.241 -1.022 . . . . 1.87 108.241 176.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.13 -38.06 84.92 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.69 -0.485 . . . . 0.34 109.69 174.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -60.96 -41.62 96.68 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.233 -0.654 . . . . 1.33 109.233 175.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.543 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 30.3 t60 -55.87 -52.84 62.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.835 -1.075 . . . . 0.46 111.242 177.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.798 HD11 ' HA ' ' A' ' 62' ' ' CYS . 53.6 mt -76.1 -27.93 18.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.098 -0.501 . . . . 0.7 112.063 -177.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -69.11 -19.8 64.05 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 120.987 0.422 . . . . 4.21 110.742 171.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -79.4 -6.75 57.52 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.501 0.667 . . . . 2.9 109.782 172.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.591 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 8.5 m-70 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.578 -0.737 . . . . 0.92 110.106 173.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 45.6 mmtm . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.738 0.304 . . . . 5.35 110.534 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 4.4 Cg_exo -75.62 55.74 4.38 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 123.791 2.994 . . . . 1.62 111.995 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.537 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 51.2 m-85 -125.93 96.62 4.81 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.561 -0.745 . . . . 1.48 110.293 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.747 HG22 ' HB3' ' A' ' 68' ' ' ARG . 21.4 t -125.75 144.29 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 CA-C-N 115.7 -0.682 . . . . 1.04 110.022 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.891 ' HA ' HD11 ' A' ' 79' ' ' ILE . 53.9 t -68.78 101.11 1.26 Allowed 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.614 -0.721 . . . . 0.38 110.226 177.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -56.73 -23.84 45.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.37 0.605 . . . . 2.79 110.316 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -84.9 -27.01 26.93 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 113.391 0.886 . . . . 2.77 113.391 -172.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 12.4 p -139.54 -4.1 1.46 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 118.115 -1.434 . . . . 0.37 113.631 175.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.62 12.33 61.07 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 120.276 -0.964 . . . . 0.43 114.403 173.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -99.78 137.63 37.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 117.664 0.732 . . . . 2.07 111.191 175.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.747 ' HB3' HG22 ' A' ' 61' ' ' VAL . 32.7 ptt180 -113.93 167.85 10.3 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.167 -0.47 . . . . 2.91 111.99 -176.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.503 ' HB2' HD23 ' A' ' 75' ' ' LEU . 12.4 m-85 -142.25 147.61 36.75 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-O 121.899 0.857 . . . . 0.53 111.072 -176.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 66.9 t -69.8 -32.19 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.265 0 CA-C-N 113.678 -1.601 . . . . 0.71 110.364 176.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.613 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 0.2 OUTLIER -105.03 128.9 53.52 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 116.121 -0.49 . . . . 1.98 110.094 -178.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.2 m -61.08 -37.23 81.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.854 -0.612 . . . . 1.52 109.728 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.9 t -60.85 -41.86 96.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.189 -0.914 . . . . 1.39 110.737 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.613 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 0.5 OUTLIER -75.88 -30.76 58.96 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 109.651 -0.499 . . . . 2.23 109.651 -174.391 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.537 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 1.1 tm? -70.0 -41.97 73.67 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.88 -0.785 . . . . 1.87 108.88 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.97 -37.21 81.26 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.815 -0.439 . . . . 0.34 109.815 175.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -61.32 -41.61 97.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.585 0.707 . . . . 1.33 109.246 174.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.513 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 55.0 t60 -57.16 -53.4 58.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.865 -1.061 . . . . 0.46 111.011 177.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.891 HD11 ' HA ' ' A' ' 62' ' ' CYS . 67.2 mt -76.46 -22.68 15.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.088 -0.506 . . . . 0.7 111.927 -176.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.58 -28.56 60.56 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 120.91 0.386 . . . . 4.21 110.932 168.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -82.85 -1.84 53.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 2.9 111.105 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -105.17 -0.71 26.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.148 -0.478 . . . . 0.92 109.943 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 37.8 t70 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.522 -0.751 . . . . 3.43 110.058 -176.505 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.408 ' HB3' ' HD1' ' A' ' 60' ' ' TYR . 12.1 mptt . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.67 0.271 . . . . 5.35 110.331 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -86.07 35.13 0.48 Allowed 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 123.213 2.608 . . . . 1.62 112.349 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.722 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 20.9 m-85 -85.15 101.0 12.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.512 0.672 . . . . 1.48 111.062 -177.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.622 HG22 ' HG2' ' A' ' 68' ' ' ARG . 29.0 t -120.59 143.18 33.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 CA-C-N 115.044 -0.98 . . . . 1.04 109.953 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.753 ' HA ' HD11 ' A' ' 79' ' ' ILE . 49.2 t -81.32 104.9 12.1 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.202 -0.666 . . . . 0.38 109.202 173.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -65.25 -20.55 66.47 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.438 0.637 . . . . 2.79 109.771 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -76.91 -32.95 57.76 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.393 -0.821 . . . . 2.77 112.539 -175.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.0 p -139.07 10.25 2.57 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 118.579 -1.248 . . . . 0.37 112.699 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.73 -16.66 24.94 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 114.184 0.433 . . . . 0.43 114.184 171.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -81.27 137.79 35.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.227 0.513 . . . . 2.07 112.031 -173.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.622 ' HG2' HG22 ' A' ' 61' ' ' VAL . 19.1 mtp180 -102.23 172.29 6.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 113.854 1.057 . . . . 2.91 113.854 -173.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.623 ' HE2' ' ND1' ' A' ' 78' ' ' HIS . 16.8 m-85 -146.47 143.31 28.89 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 113.907 -1.497 . . . . 0.53 109.42 172.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.407 ' O ' ' HD3' ' A' ' 58' ' ' LYS . 6.8 t -75.22 -32.86 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.346 0 CA-C-N 114.38 -1.282 . . . . 0.71 109.692 179.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -96.62 129.13 44.06 Favored 'General case' 0 N--CA 1.423 -1.823 0 CA-C-N 116.019 -0.537 . . . . 1.98 110.198 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 p -55.61 -43.76 76.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.378 -0.828 . . . . 1.52 110.467 178.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.8 m -59.3 -42.33 91.09 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.252 -0.886 . . . . 1.39 111.029 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.411 HE21 ' HB3' ' A' ' 74' ' ' GLN . 18.1 mt-30 -75.25 -32.77 61.19 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 110.147 -0.316 . . . . 2.23 110.147 -172.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.722 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 1.6 tm? -71.73 -40.31 69.51 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.024 -0.732 . . . . 1.87 109.024 178.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.24 -36.27 81.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.735 -0.469 . . . . 0.34 109.735 175.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -63.07 -41.78 99.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.548 0.69 . . . . 1.33 109.244 174.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.623 ' ND1' ' HE2' ' A' ' 69' ' ' PHE . 43.3 t60 -56.66 -46.95 80.78 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.582 -1.19 . . . . 0.46 111.445 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.753 HD11 ' HA ' ' A' ' 62' ' ' CYS . 62.4 mt -80.57 -30.35 12.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 112.185 0.439 . . . . 0.7 112.185 -177.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -60.77 -25.02 66.21 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.316 0.579 . . . . 4.21 110.573 167.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.426 ' HB3' ' O ' ' A' ' 78' ' ' HIS . 8.4 t-160 -76.59 -7.23 54.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.404 -0.817 . . . . 2.9 109.736 176.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 9.8 m-70 -97.8 -9.42 26.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.003 -0.544 . . . . 0.92 110.786 177.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.502 -0.761 . . . . 3.43 110.442 -179.069 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.519 ' HD2' ' HD2' ' A' ' 68' ' ' ARG . 63.0 mttm . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 109.792 -0.447 . . . . 5.35 109.792 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 2.9 Cg_exo -76.4 -24.6 10.53 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.143 2.562 . . . . 1.62 113.967 -169.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.792 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 94.2 m-85 -129.0 122.23 29.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.381 0.61 . . . . 1.48 111.888 -174.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.564 HG13 ' HB3' ' A' ' 68' ' ' ARG . 59.0 t -133.64 142.16 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 CA-C-N 115.401 -0.818 . . . . 1.04 109.545 178.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.69 ' HA ' HD11 ' A' ' 79' ' ' ILE . 53.2 t -71.46 100.55 2.23 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.371 -0.603 . . . . 0.38 109.371 175.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -51.87 -28.85 17.46 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.375 0.607 . . . . 2.79 110.568 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -80.01 -36.8 35.34 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.07 -0.968 . . . . 2.77 113.12 -170.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.521 ' SG ' ' HD2' ' A' ' 67' ' ' LYS . 14.0 p -134.38 7.9 3.64 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 118.607 -1.237 . . . . 0.37 112.643 178.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.81 -19.24 16.8 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 121.039 -0.601 . . . . 0.43 113.86 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.521 ' HD2' ' SG ' ' A' ' 65' ' ' CYS . 55.9 mttm -73.21 128.4 35.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.215 0.507 . . . . 2.07 110.271 -177.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.564 ' HB3' HG13 ' A' ' 61' ' ' VAL . 31.5 ptt180 -115.15 168.92 9.51 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.46 0.648 . . . . 2.91 112.676 -170.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.513 ' HE2' ' ND1' ' A' ' 78' ' ' HIS . 48.5 m-85 -149.07 143.46 26.06 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 114.618 -1.174 . . . . 0.53 108.877 -177.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.497 HG12 HE21 ' A' ' 71' ' ' GLN . 21.6 t -74.06 -30.4 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.372 0 CA-C-N 114.945 -1.025 . . . . 0.71 110.319 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.497 HE21 HG12 ' A' ' 70' ' ' VAL . 18.8 mm-40 -100.09 129.23 46.11 Favored 'General case' 0 N--CA 1.424 -1.738 0 CA-C-N 116.23 -0.441 . . . . 1.98 110.791 -178.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.429 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 33.1 t -56.82 -40.0 75.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.217 -0.901 . . . . 1.52 110.444 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.8 t -62.76 -40.08 96.18 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.774 -0.648 . . . . 1.39 110.276 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -79.35 -30.13 42.51 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.828 0.347 . . . . 2.23 110.214 -175.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.792 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 1.1 tm? -69.94 -40.62 75.36 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.885 -0.783 . . . . 1.87 108.885 175.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 80' ' ' ARG . . . -68.15 -38.57 82.28 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 109.49 -0.559 . . . . 0.34 109.49 175.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -57.75 -42.3 83.68 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.547 0.689 . . . . 1.33 109.155 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.521 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 55.6 t60 -58.15 -53.69 55.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.679 -1.146 . . . . 0.46 111.61 177.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.69 HD11 ' HA ' ' A' ' 62' ' ' CYS . 64.7 mt -75.6 -21.6 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.848 -0.615 . . . . 0.7 111.774 -176.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 72.4 mtt180 -61.67 -16.86 52.49 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.935 0.398 . . . . 4.21 111.909 171.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -90.18 -2.67 58.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.362 0.601 . . . . 2.9 110.037 175.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.426 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 10.1 m-70 -92.13 -12.99 31.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.175 -0.466 . . . . 0.92 111.024 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 C--O 1.244 0.807 0 CA-C-O 119.004 -0.522 . . . . 3.43 110.121 178.175 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.582 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 75.8 mmtt . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.583 0.23 . . . . 5.35 110.554 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -87.18 46.12 1.36 Allowed 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 123.316 2.677 . . . . 1.62 112.348 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.626 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 13.3 m-85 -89.32 127.06 35.76 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.997 -0.547 . . . . 1.48 111.074 -175.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.837 HG22 ' HG2' ' A' ' 68' ' ' ARG . 66.7 t -124.42 136.79 59.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.383 -0.826 . . . . 1.04 110.214 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.629 ' HA ' HD11 ' A' ' 79' ' ' ILE . 31.4 t -67.2 104.18 1.4 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.297 -0.411 . . . . 0.38 110.111 176.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -55.03 -28.01 48.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.963 -0.562 . . . . 2.79 111.083 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.57 ' HD3' HG23 ' A' ' 79' ' ' ILE . 30.1 mtp180 -78.75 -38.17 39.38 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 113.431 0.9 . . . . 2.77 113.431 -173.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.1 p -133.34 -4.43 3.01 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 118.093 -1.443 . . . . 0.37 113.036 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.2 -10.32 65.47 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.528 -0.844 . . . . 0.43 114.197 173.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -75.97 140.48 42.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 117.679 0.74 . . . . 2.07 111.359 -177.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.837 ' HG2' HG22 ' A' ' 61' ' ' VAL . 53.4 mtt180 -103.05 160.87 14.25 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 113.157 0.799 . . . . 2.91 113.157 -174.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.577 ' HE2' ' ND1' ' A' ' 78' ' ' HIS . 38.8 m-85 -149.46 139.42 21.98 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 114.299 -1.319 . . . . 0.53 109.934 176.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.5 t -73.14 -30.52 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 CA-C-N 114.044 -1.435 . . . . 0.71 110.493 -177.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.402 ' HB2' ' HG2' ' A' ' 74' ' ' GLN . 18.4 mt-30 -101.65 129.39 47.77 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-N 116.271 -0.422 . . . . 1.98 110.091 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.5 m -55.53 -40.78 72.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.278 -0.874 . . . . 1.52 110.352 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.7 p -65.99 -35.5 80.75 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.52 -0.764 . . . . 1.39 111.27 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.402 ' HG2' ' HB2' ' A' ' 71' ' ' GLN . 17.1 mm100 -76.4 -31.84 58.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.88 -0.415 . . . . 2.23 109.88 -176.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.626 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 1.2 tm? -69.54 -40.78 76.67 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.613 -0.884 . . . . 1.87 108.613 175.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.93 -38.75 86.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.806 -0.634 . . . . 0.34 110.037 175.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -60.62 -42.66 97.32 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.467 -0.568 . . . . 1.33 109.467 174.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.577 ' ND1' ' HE2' ' A' ' 69' ' ' PHE . 65.5 t60 -54.27 -52.74 60.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.063 -0.972 . . . . 0.46 111.151 177.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.629 HD11 ' HA ' ' A' ' 62' ' ' CYS . 50.4 mt -76.2 -31.96 21.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.907 -0.588 . . . . 0.7 112.107 -177.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 29.9 mtm180 -68.08 -12.15 60.33 Favored 'General case' 0 N--CA 1.444 -0.767 0 O-C-N 122.022 -0.423 . . . . 4.21 111.357 173.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -96.3 2.54 52.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.589 -0.278 . . . . 2.9 110.785 173.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.531 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.6 m-70 -80.2 70.1 6.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.953 0.406 . . . . 0.92 110.683 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.507 -0.759 . . . . 3.43 109.851 177.124 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.646 ' HG2' HG22 ' A' ' 70' ' ' VAL . 60.7 mttp . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 109.35 -0.611 . . . . 5.35 109.35 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 8.9 Cg_exo -71.13 -47.08 0.58 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.239 2.626 . . . . 1.62 113.241 -169.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.753 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 42.5 m-85 -75.2 111.06 10.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.953 0.406 . . . . 1.48 111.284 -176.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.616 HG22 ' HB3' ' A' ' 68' ' ' ARG . 46.3 t -121.39 129.97 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.554 -0.748 . . . . 1.04 110.054 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 31.6 t -68.47 108.58 3.34 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.111 -0.495 . . . . 0.38 109.818 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.435 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -63.23 -24.57 67.93 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.336 0.589 . . . . 2.79 109.708 178.628 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -85.59 -25.09 26.89 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 113.427 0.899 . . . . 2.77 113.427 -170.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.7 p -140.16 12.58 2.41 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 118.411 -1.316 . . . . 0.37 112.683 171.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.08 -4.54 46.57 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 114.832 0.693 . . . . 0.43 114.832 169.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.509 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 45.4 mttp -89.42 136.66 32.9 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.655 0.727 . . . . 2.07 110.167 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.616 ' HB3' HG22 ' A' ' 61' ' ' VAL . 12.3 ptt180 -121.21 168.29 11.76 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 112.986 0.736 . . . . 2.91 112.986 -173.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.444 ' HD2' HD22 ' A' ' 75' ' ' LEU . 55.6 m-85 -148.99 149.64 31.51 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.025 -0.989 . . . . 0.53 109.57 -175.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.646 HG22 ' HG2' ' A' ' 58' ' ' LYS . 2.3 t -70.64 -33.32 52.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 114.855 -1.066 . . . . 0.71 109.306 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -98.06 128.71 44.75 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-N 115.028 -0.987 . . . . 1.98 109.991 -172.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 p -57.69 -41.66 82.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.889 -0.596 . . . . 1.52 109.99 175.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.6 m -63.42 -40.03 96.09 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.357 -0.838 . . . . 1.39 110.935 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.406 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 7.0 tp60 -74.13 -33.26 63.49 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.278 -0.638 . . . . 2.23 109.278 -175.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.753 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 1.3 tm? -71.38 -39.96 70.9 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.121 -0.696 . . . . 1.87 109.121 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.09 -23.59 51.86 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.422 -0.511 . . . . 0.34 110.149 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -69.37 -36.58 76.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.431 -0.952 . . . . 1.33 108.431 169.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.657 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 36.1 t60 -61.7 -39.59 92.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.849 -1.069 . . . . 0.46 110.488 171.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.671 HG12 ' O ' ' A' ' 75' ' ' LEU . 49.7 mm -70.85 -39.39 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-O 121.072 0.463 . . . . 0.7 110.362 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.432 ' HA ' ' HD3' ' A' ' 80' ' ' ARG . 25.6 mmt180 -63.75 -20.76 66.0 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 120.906 0.384 . . . . 4.21 111.502 173.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -76.76 -7.36 55.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.27 0.557 . . . . 2.9 109.603 175.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.595 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 10.2 m-70 -92.18 6.19 47.58 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.633 -0.712 . . . . 0.92 110.86 176.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.6 t70 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.747 -0.644 . . . . 3.43 109.872 -179.361 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.56 ' HG3' HG13 ' A' ' 70' ' ' VAL . 73.3 mmtt . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 109.752 -0.462 . . . . 5.35 109.752 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -75.58 48.98 2.28 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.797 2.331 . . . . 1.62 112.539 -178.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.528 ' HB3' HD22 ' A' ' 75' ' ' LEU . 77.1 m-85 -138.83 89.35 2.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.386 0.612 . . . . 1.48 111.266 -175.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.616 ' HA ' ' HA ' ' A' ' 68' ' ' ARG . 35.2 t -127.67 142.06 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-N 115.849 -0.614 . . . . 1.04 109.546 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 64' ' ' ARG . 49.3 t -73.37 91.43 1.74 Allowed 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.598 -0.89 . . . . 0.38 108.598 174.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -58.73 -20.95 53.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.393 0.616 . . . . 2.79 109.518 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.547 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 30.4 mtp180 -68.03 -40.6 82.88 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.087 -0.96 . . . . 2.77 112.761 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.1 p -132.51 -4.84 3.32 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 118.365 -1.334 . . . . 0.37 113.101 178.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.24 -23.49 31.73 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.937 -0.649 . . . . 0.43 113.716 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -69.1 120.12 14.45 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 117.547 0.674 . . . . 2.07 111.729 -176.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.616 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 15.8 ptp180 -97.75 161.78 13.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.071 -0.513 . . . . 2.91 111.582 -178.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.412 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 79.2 m-85 -148.28 140.92 24.5 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 115.47 -0.786 . . . . 0.53 109.418 -177.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.56 HG13 ' HG3' ' A' ' 58' ' ' LYS . 71.6 t -77.88 -31.74 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 CA-C-N 114.983 -1.008 . . . . 0.71 110.289 -178.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.498 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 34.5 mt-30 -96.53 129.3 43.93 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 115.872 -0.604 . . . . 1.98 109.962 -178.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.7 t -59.16 -40.48 85.73 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.292 -0.633 . . . . 1.52 109.292 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.7 t -58.91 -46.49 87.79 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.573 -0.74 . . . . 1.39 110.348 176.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.498 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 4.9 tp-100 -69.27 -38.73 78.52 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.133 -0.691 . . . . 2.23 109.133 -173.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 60' ' ' TYR . 52.2 tp -63.21 -57.29 10.97 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.226 -0.897 . . . . 1.87 110.426 176.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.566 ' O ' ' HB3' ' A' ' 80' ' ' ARG . . . -54.13 -39.77 66.77 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.791 -1.095 . . . . 0.34 110.279 177.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -55.11 -50.52 69.0 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.326 0.584 . . . . 1.33 109.575 174.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -62.98 -47.4 83.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.243 -0.889 . . . . 0.46 110.636 -176.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.506 HD11 ' HA ' ' A' ' 62' ' ' CYS . 55.6 mt -76.56 -27.7 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 115.793 -0.64 . . . . 0.7 112.159 -174.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.566 ' HB3' ' O ' ' A' ' 76' ' ' ALA . 1.1 ppt_? -63.91 -20.49 65.88 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 120.992 0.425 . . . . 4.21 110.491 179.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -90.05 -8.16 52.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 2.9 110.269 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.487 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 2.4 m-70 -76.4 -32.92 58.82 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.551 0.691 . . . . 0.92 109.928 175.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 . . . . . 0 C--N 1.311 -1.069 0 CA-C-N 114.454 -1.248 . . . . 3.43 110.188 -178.242 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.567 ' HE2' HG13 ' A' ' 70' ' ' VAL . 26.6 mtpp . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.283 -0.636 . . . . 5.35 109.283 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 34.1 Cg_exo -60.5 -17.9 50.91 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.516 2.81 . . . . 1.62 113.951 -170.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -82.8 89.58 6.82 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.905 0.859 . . . . 1.48 111.365 -177.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.633 ' HA ' ' HA ' ' A' ' 68' ' ' ARG . 6.5 p -119.91 142.84 33.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 114.74 -1.118 . . . . 1.04 109.178 176.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.504 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 9.5 t -63.18 107.88 1.15 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.825 -0.435 . . . . 0.38 109.825 175.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -57.98 -22.29 48.64 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.516 -0.766 . . . . 2.79 111.369 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -86.1 -44.55 12.17 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 113.135 0.791 . . . . 2.77 113.135 -174.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.5 p -129.44 6.25 5.25 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 118.576 -1.25 . . . . 0.37 112.737 -176.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.74 -6.59 83.21 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.758 -0.734 . . . . 0.43 114.663 169.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -80.75 122.34 27.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.909 0.855 . . . . 2.07 111.754 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.633 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 16.1 mtm180 -80.72 160.28 24.99 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.676 0.991 . . . . 2.91 113.676 -175.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.433 ' HE1' ' ND1' ' A' ' 78' ' ' HIS . 11.4 m-85 -147.49 144.5 28.62 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 114.171 -1.377 . . . . 0.53 109.726 176.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.567 HG13 ' HE2' ' A' ' 58' ' ' LYS . 49.1 t -76.01 -33.12 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.298 0 CA-C-N 114.345 -1.298 . . . . 0.71 110.586 -177.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.454 HE21 ' HB3' ' A' ' 71' ' ' GLN . 3.1 mt-30 -109.19 141.01 42.05 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-O 121.069 0.461 . . . . 1.98 111.125 -176.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.5 t -64.99 -36.6 84.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.12 -0.945 . . . . 1.52 109.956 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 p -62.56 -47.34 84.29 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.485 -0.78 . . . . 1.39 110.447 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.529 ' HA ' ' HB3' ' A' ' 77' ' ' ASN . 97.0 mt-30 -72.68 -26.7 61.71 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.058 -0.519 . . . . 2.23 109.824 -176.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.603 ' O ' HG12 ' A' ' 79' ' ' ILE . 20.8 tp -62.42 -58.26 8.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.501 -0.772 . . . . 1.87 110.406 174.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -67.67 -25.05 65.51 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 116.228 -0.442 . . . . 0.34 110.34 176.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.529 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 25.6 t-20 -60.73 -43.48 97.83 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.675 -0.861 . . . . 1.33 108.675 170.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.58 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 43.7 t60 -62.34 -42.55 99.48 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.897 -1.047 . . . . 0.46 110.567 175.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.603 HG12 ' O ' ' A' ' 75' ' ' LEU . 42.3 mm -67.47 -38.93 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.788 -0.642 . . . . 0.7 110.931 -179.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 76' ' ' ALA . 12.6 mmm180 -56.69 -25.72 54.77 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 112.562 0.578 . . . . 4.21 112.562 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -87.24 -0.99 57.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.088 0.47 . . . . 2.9 110.593 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 5.7 m-70 -85.27 -38.13 19.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.452 0.644 . . . . 0.92 110.907 177.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 C--N 1.309 -1.156 0 CA-C-N 114.894 -1.048 . . . . 3.43 110.681 -171.78 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 109.83 -0.433 . . . . 5.35 109.83 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -80.71 36.7 0.63 Allowed 'Trans proline' 0 CA--C 1.529 0.228 0 C-N-CA 123.083 2.522 . . . . 1.62 113.09 -175.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.524 ' CE1' ' HB3' ' A' ' 72' ' ' SER . 84.5 m-85 -139.28 88.98 2.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.598 0.713 . . . . 1.48 110.45 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.895 HG22 ' HG2' ' A' ' 68' ' ' ARG . 75.0 t -138.4 140.03 40.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.173 -0.921 . . . . 1.04 108.971 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 26.1 t -70.98 103.47 2.68 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.658 -0.867 . . . . 0.38 108.658 173.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -7.09 46.26 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.459 0.647 . . . . 2.79 109.697 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -92.56 -23.65 18.99 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.428 -0.806 . . . . 2.77 112.289 -174.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.4 p -138.25 -2.13 1.86 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 118.665 -1.214 . . . . 0.37 112.632 168.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.6 14.64 59.53 Favored Glycine 0 CA--C 1.517 0.214 0 N-CA-C 114.701 0.64 . . . . 0.43 114.701 170.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.606 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 29.9 mmmt -99.95 142.86 30.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 117.876 0.838 . . . . 2.07 111.494 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.895 ' HG2' HG22 ' A' ' 61' ' ' VAL . 96.6 mtt180 -94.92 156.79 16.19 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.732 1.012 . . . . 2.91 113.732 -174.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.649 ' CE2' ' HB2' ' A' ' 78' ' ' HIS . 15.8 m-85 -151.74 141.72 22.1 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 114.156 -1.383 . . . . 0.53 109.2 172.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -84.24 -32.47 8.27 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 CA-C-N 115.198 -0.91 . . . . 0.71 110.152 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.675 ' HA ' HE21 ' A' ' 71' ' ' GLN . 0.0 OUTLIER -95.12 130.79 41.69 Favored 'General case' 0 N--CA 1.426 -1.655 0 N-CA-C 109.598 -0.519 . . . . 1.98 109.598 -178.374 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.524 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 12.9 p -62.58 -33.8 75.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.028 0.442 . . . . 1.52 110.19 178.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 p -65.91 -43.22 88.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.822 -0.626 . . . . 1.39 110.535 176.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.521 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 13.5 mm100 -76.57 -22.39 54.35 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.005 0.431 . . . . 2.23 110.037 -177.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.576 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 15.9 tp -64.27 -54.43 33.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.633 -0.712 . . . . 1.87 109.683 172.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.72 -25.93 65.9 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.765 -0.652 . . . . 0.34 110.764 175.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.421 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 7.9 t-20 -64.07 -36.28 83.51 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.921 -0.77 . . . . 1.33 108.921 172.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.649 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 58.1 t60 -66.58 -41.72 88.08 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.353 -0.84 . . . . 0.46 110.795 175.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.667 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 12.5 mm -68.04 -36.27 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.182 0.515 . . . . 0.7 109.761 176.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -57.66 -36.26 71.65 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.727 -0.669 . . . . 4.21 112.133 175.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -82.69 3.59 28.44 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.132 0.491 . . . . 2.9 110.715 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.667 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 3.7 m-70 -78.89 62.98 3.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.083 -0.71 . . . . 0.92 109.083 171.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 C--O 1.246 0.895 0 CA-C-N 115.08 -0.964 . . . . 3.43 110.423 -173.468 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.679 ' HG3' HG13 ' A' ' 70' ' ' VAL . 73.1 mmtt . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 109.869 -0.419 . . . . 5.35 109.869 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -73.9 9.89 1.54 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.032 2.488 . . . . 1.62 112.573 -178.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -101.17 88.52 3.52 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.798 -0.637 . . . . 1.48 110.442 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.602 ' HA ' ' HA ' ' A' ' 68' ' ' ARG . 23.6 t -126.85 142.89 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-N 116.187 -0.461 . . . . 1.04 109.771 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.937 ' HA ' HD11 ' A' ' 79' ' ' ILE . 48.4 t -70.32 99.6 1.58 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.327 -0.619 . . . . 0.38 109.327 176.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -58.45 -16.4 14.89 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.351 0.596 . . . . 2.79 110.776 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -95.8 -22.29 17.58 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 113.566 0.95 . . . . 2.77 113.566 -173.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.8 p -139.94 3.23 2.0 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 118.219 -1.393 . . . . 0.37 112.776 172.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.4 -14.69 61.9 Favored Glycine 0 C--O 1.227 -0.332 0 C-N-CA 120.967 -0.635 . . . . 0.43 113.97 172.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -81.11 130.0 34.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.397 0.599 . . . . 2.07 111.057 -177.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.602 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 13.5 ptt180 -104.02 170.91 7.64 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.172 0.805 . . . . 2.91 113.172 -170.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.441 ' HE1' ' ND1' ' A' ' 78' ' ' HIS . 30.0 m-85 -143.92 177.96 8.18 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.411 -1.268 . . . . 0.53 108.888 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.679 HG13 ' HG3' ' A' ' 58' ' ' LYS . 14.8 t -112.06 -19.03 7.17 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.087 0 N-CA-C 108.311 -0.996 . . . . 0.71 108.311 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.601 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 30.1 mt-30 -112.1 129.01 56.37 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 114.203 -1.362 . . . . 1.98 109.692 -167.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 t -58.37 -46.74 85.75 Favored 'General case' 0 CA--C 1.516 -0.344 0 O-C-N 123.501 0.5 . . . . 1.52 109.98 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.5 p -57.02 -46.52 82.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.337 -0.847 . . . . 1.39 110.683 177.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.601 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 16.1 mm100 -71.45 -36.96 71.41 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.513 -0.551 . . . . 2.23 109.513 -172.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.9 tp -63.14 -57.02 11.94 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.415 -0.811 . . . . 1.87 110.664 176.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.15 -38.78 74.03 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.231 -0.895 . . . . 0.34 110.281 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -58.7 -46.43 87.33 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.465 0.65 . . . . 1.33 109.444 175.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.441 ' ND1' ' HE1' ' A' ' 69' ' ' PHE . 48.0 t60 -61.2 -47.31 86.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.831 -1.077 . . . . 0.46 110.984 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.937 HD11 ' HA ' ' A' ' 62' ' ' CYS . 70.4 mt -80.06 -22.66 11.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.701 -0.681 . . . . 0.7 112.135 -175.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -58.73 -24.61 61.84 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 120.949 0.404 . . . . 4.21 111.362 171.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -88.52 8.78 26.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.181 0.515 . . . . 2.9 110.526 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -114.99 1.0 13.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.977 -0.556 . . . . 0.92 110.65 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.1 t70 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.375 -0.822 . . . . 3.43 110.194 -175.044 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.484 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 73.5 mmtt . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 109.273 -0.64 . . . . 5.35 109.273 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 8.0 Cg_exo -72.63 -3.99 14.5 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.964 2.443 . . . . 1.62 113.015 -175.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.591 ' HB2' ' O ' ' A' ' 69' ' ' PHE . 87.5 m-85 -125.71 96.81 4.91 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.994 0.426 . . . . 1.48 111.14 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.62 HG22 ' HB3' ' A' ' 68' ' ' ARG . 24.3 t -127.02 138.01 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.699 0 N-CA-C 109.851 -0.426 . . . . 1.04 109.851 175.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.418 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 41.4 t -71.81 102.94 2.98 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.846 -0.616 . . . . 0.38 109.906 177.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.1 -15.75 57.7 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.321 0.581 . . . . 2.79 110.167 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.404 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 53.5 mtt180 -87.11 -30.45 21.09 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.619 -0.718 . . . . 2.77 112.417 -172.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.2 p -137.98 2.17 2.33 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 118.668 -1.213 . . . . 0.37 112.99 173.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.45 5.99 81.43 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 114.75 0.66 . . . . 0.43 114.75 170.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 30.0 mmmt -96.81 143.56 27.61 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.899 0.849 . . . . 2.07 109.858 177.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.62 ' HB3' HG22 ' A' ' 61' ' ' VAL . 13.1 ptt-85 -118.11 167.21 11.69 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 113.072 0.767 . . . . 2.91 113.072 -171.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.591 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 14.7 m-85 -148.64 151.05 34.32 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.63 -1.168 . . . . 0.53 109.538 -177.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 81.6 t -85.51 -30.93 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.255 0 CA-C-N 115.056 -0.975 . . . . 0.71 110.325 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.425 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 37.0 mt-30 -99.23 136.85 38.57 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 116.182 -0.463 . . . . 1.98 111.303 -174.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.428 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 4.0 m -52.65 -51.32 60.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.759 -0.655 . . . . 1.52 110.731 178.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.1 m -61.48 -38.86 88.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.47 -0.786 . . . . 1.39 111.258 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.521 ' HB3' ' CD1' ' A' ' 69' ' ' PHE . 22.1 mm-40 -71.47 -29.08 64.43 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.45 -0.341 . . . . 2.23 110.661 -172.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.577 ' O ' HG12 ' A' ' 79' ' ' ILE . 34.0 tp -65.41 -55.86 15.74 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.22 -0.445 . . . . 1.87 110.33 176.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.54 -23.96 65.49 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 116.038 -0.528 . . . . 0.34 110.434 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.472 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 8.7 t30 -61.93 -40.76 96.6 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.051 -0.722 . . . . 1.33 109.051 169.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.56 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 49.0 t60 -66.19 -42.08 89.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.066 -0.97 . . . . 0.46 110.525 175.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.577 HG12 ' O ' ' A' ' 75' ' ' LEU . 31.7 mm -67.13 -32.44 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 0.7 110.697 178.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 80' ' ' ARG . 2.8 mmm180 -57.4 -26.4 61.04 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 112.518 0.562 . . . . 4.21 112.518 178.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -86.87 5.16 38.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.344 0.593 . . . . 2.9 110.3 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.537 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 7.9 m-70 -91.4 58.15 3.53 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.696 -0.853 . . . . 0.92 108.696 171.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 C--O 1.249 1.036 0 CA-C-N 114.484 -1.235 . . . . 3.43 110.798 -176.068 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.1 mttt . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 110.021 -0.363 . . . . 5.35 110.021 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -84.79 -42.16 0.07 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.824 2.349 . . . . 1.62 112.945 -178.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 1.097 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 67.2 m-85 -88.15 108.68 19.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.044 0.449 . . . . 1.48 111.679 -173.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.557 HG13 ' HB3' ' A' ' 68' ' ' ARG . 23.2 t -125.64 148.54 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 CA-C-N 115.62 -0.718 . . . . 1.04 110.084 177.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 52.9 t -81.01 105.51 12.29 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.684 -0.689 . . . . 0.38 109.7 175.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.84 -22.64 64.42 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.404 0.621 . . . . 2.79 109.928 176.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -84.23 -28.27 27.38 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.177 -0.919 . . . . 2.77 113.111 -171.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.1 p -137.88 -2.28 1.92 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 118.546 -1.262 . . . . 0.37 112.438 174.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.77 -17.47 59.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.43 113.805 174.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -78.27 141.37 38.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 117.463 0.632 . . . . 2.07 111.031 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.557 ' HB3' HG13 ' A' ' 61' ' ' VAL . 8.4 ptp85 -119.37 163.31 17.38 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.108 0.48 . . . . 2.91 112.106 -172.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.581 ' HE2' ' HD1' ' A' ' 78' ' ' HIS . 5.6 m-85 -141.32 146.27 36.5 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 122.114 0.959 . . . . 0.53 111.334 -173.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.1 t -72.39 -38.12 59.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 113.546 -1.661 . . . . 0.71 110.18 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -101.32 129.17 47.25 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-N 115.419 -0.81 . . . . 1.98 109.571 -170.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.3 p -55.26 -43.41 74.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.806 0.691 . . . . 1.52 110.61 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.7 p -65.71 -42.0 91.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.432 -0.803 . . . . 1.39 111.426 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.416 ' NE2' HD22 ' A' ' 77' ' ' ASN . 49.0 tp60 -75.33 -28.65 59.71 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.406 -0.961 . . . . 2.23 108.406 -175.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 1.097 ' HG ' ' HB3' ' A' ' 60' ' ' TYR . 2.6 tm? -69.18 -49.23 58.55 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.01 -0.996 . . . . 1.87 109.337 176.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.49 83.71 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.591 -0.731 . . . . 0.34 110.265 172.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.416 HD22 ' NE2' ' A' ' 74' ' ' GLN . 36.2 t30 -58.69 -41.38 86.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.295 0.569 . . . . 1.33 109.869 175.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.581 ' HD1' ' HE2' ' A' ' 69' ' ' PHE . 23.6 t60 -59.37 -56.1 26.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.111 -0.95 . . . . 0.46 111.158 178.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.464 HD12 ' HD2' ' A' ' 78' ' ' HIS . 2.1 mp -66.85 -30.46 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.439 -0.346 . . . . 0.7 111.772 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -56.28 -26.33 51.48 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 111.756 0.28 . . . . 4.21 111.756 172.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -80.88 -7.03 59.36 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.253 0.549 . . . . 2.9 110.406 178.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -93.2 18.5 9.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.92 110.955 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 26.6 t70 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.891 -0.576 . . . . 3.43 109.566 176.106 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.466 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 48.7 mmtm . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.785 0.326 . . . . 5.35 110.604 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 4.0 Cg_endo -85.65 20.14 1.28 Allowed 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 123.312 2.675 . . . . 1.62 112.463 -177.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.443 ' CE2' ' HA ' ' A' ' 72' ' ' SER . 19.6 m-85 -85.4 90.59 7.98 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.445 0.641 . . . . 1.48 111.101 -178.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.956 HG22 ' HG2' ' A' ' 68' ' ' ARG . 64.0 t -117.93 137.14 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 115.289 -0.869 . . . . 1.04 110.407 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.677 ' SG ' ' HB2' ' A' ' 64' ' ' ARG . 42.8 t -74.53 94.01 2.56 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 107.938 -1.134 . . . . 0.38 107.938 170.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -63.76 -14.09 49.56 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.308 0.575 . . . . 2.79 109.775 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.677 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 17.3 mtp180 -67.98 -54.01 21.74 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.343 -0.844 . . . . 2.77 111.815 175.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.2 p -121.05 1.82 10.39 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 118.802 -1.159 . . . . 0.37 112.841 -176.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.4 11.96 79.39 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 120.916 -0.659 . . . . 0.43 114.119 173.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -95.82 134.16 39.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 117.754 0.777 . . . . 2.07 111.282 177.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.956 ' HG2' HG22 ' A' ' 61' ' ' VAL . 53.3 mtm-85 -97.31 157.54 15.92 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 113.151 0.797 . . . . 2.91 113.151 -177.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 78' ' ' HIS . 12.5 m-85 -144.43 137.77 27.23 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.362 -1.29 . . . . 0.53 109.769 176.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.5 t -82.29 -30.17 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 CA-C-N 114.376 -1.284 . . . . 0.71 110.921 -175.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.452 ' HB2' ' CG ' ' A' ' 74' ' ' GLN . 45.8 mt-30 -98.39 129.09 45.04 Favored 'General case' 0 N--CA 1.423 -1.799 0 O-C-N 122.27 -0.269 . . . . 1.98 110.297 -174.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.443 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 31.7 m -50.34 -52.51 36.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.479 0.487 . . . . 1.52 111.69 -170.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.0 m -68.42 -25.33 64.97 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.77 -0.65 . . . . 1.39 111.624 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.452 ' CG ' ' HB2' ' A' ' 71' ' ' GLN . 13.6 mm100 -78.13 -21.53 50.21 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 120.746 -0.382 . . . . 2.23 110.568 -173.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.4 tp -65.9 -53.9 33.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.404 0.621 . . . . 1.87 109.646 172.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.52 -36.26 75.76 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.159 -0.928 . . . . 0.34 110.17 173.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.41 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 24.5 t-20 -59.25 -45.77 90.27 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.484 -0.561 . . . . 1.33 109.484 175.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 69' ' ' PHE . 69.6 t60 -58.15 -51.45 69.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.827 -0.624 . . . . 0.46 111.049 178.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.621 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 31.7 mt -72.97 -27.28 24.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.297 -0.41 . . . . 0.7 111.844 -176.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -72.34 1.85 7.12 Favored 'General case' 0 N--CA 1.446 -0.649 0 O-C-N 121.922 -0.486 . . . . 4.21 111.652 171.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.47 ' HB2' ' O ' ' A' ' 78' ' ' HIS . 38.9 m80 -98.41 -2.41 39.18 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.777 -0.453 . . . . 2.9 109.777 169.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.621 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.0 OUTLIER -82.77 -4.55 58.11 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.978 -0.555 . . . . 0.92 111.785 -175.524 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 . . . . . 0 C--O 1.247 0.924 0 N-CA-C 109.635 -0.506 . . . . 3.43 109.635 173.44 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.714 ' HB3' ' HD1' ' A' ' 60' ' ' TYR . 41.8 mttm . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.763 0.316 . . . . 5.35 111.002 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 1.9 Cg_endo -84.24 46.82 2.06 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 123.073 2.516 . . . . 1.62 112.037 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.714 ' HD1' ' HB3' ' A' ' 58' ' ' LYS . 22.7 m-85 -108.47 88.36 2.71 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.568 -0.53 . . . . 1.48 109.568 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.634 HG22 ' HB3' ' A' ' 68' ' ' ARG . 22.2 t -122.7 142.83 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-O 121.046 0.451 . . . . 1.04 110.464 -178.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.544 ' HA ' HD11 ' A' ' 79' ' ' ILE . 51.3 t -74.78 109.31 8.15 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.741 -0.663 . . . . 0.38 109.479 176.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.59 -22.95 64.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.078 -0.51 . . . . 2.79 110.981 178.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.527 ' HB2' ' CD2' ' A' ' 82' ' ' HIS . 78.1 mtt180 -87.58 -31.93 19.61 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 113.394 0.887 . . . . 2.77 113.394 -171.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.4 p -132.9 -1.95 3.3 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 118.103 -1.439 . . . . 0.37 112.759 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.45 -11.3 72.43 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.524 -0.846 . . . . 0.43 114.192 173.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -82.04 141.22 33.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.385 0.592 . . . . 2.07 110.776 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.634 ' HB3' HG22 ' A' ' 61' ' ' VAL . 23.2 ptt180 -121.4 168.41 11.71 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.593 0.59 . . . . 2.91 112.593 -173.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.449 ' CE2' ' HG3' ' A' ' 74' ' ' GLN . 75.7 m-85 -146.02 178.13 8.44 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 114.994 -1.003 . . . . 0.53 109.58 -173.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.523 HG13 ' HD2' ' A' ' 58' ' ' LYS . 2.9 t -115.47 -23.7 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.236 0 N-CA-C 108.265 -1.013 . . . . 0.71 108.265 178.002 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.686 ' HB2' ' HB3' ' A' ' 74' ' ' GLN . 61.6 mt-30 -97.43 128.05 43.89 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 114.7 -1.136 . . . . 1.98 109.444 -175.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.8 t -62.87 -42.75 99.88 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.49 -0.559 . . . . 1.52 109.49 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.4 t -63.2 -42.09 99.26 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.538 -0.756 . . . . 1.39 109.917 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.686 ' HB3' ' HB2' ' A' ' 71' ' ' GLN . 6.5 tp-100 -72.78 -32.64 65.74 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.988 -0.745 . . . . 2.23 108.988 -173.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.509 HD22 ' HB3' ' A' ' 60' ' ' TYR . 39.5 tp -64.14 -57.25 10.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.856 -1.066 . . . . 1.87 110.145 176.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.5 ' O ' ' HG3' ' A' ' 80' ' ' ARG . . . -58.23 -37.81 75.59 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.365 -0.834 . . . . 0.34 110.453 174.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -58.74 -45.26 90.07 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.674 -0.491 . . . . 1.33 109.674 175.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.444 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 73.8 t60 -58.39 -53.44 58.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.638 -0.71 . . . . 0.46 110.848 178.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.544 HD11 ' HA ' ' A' ' 62' ' ' CYS . 38.8 mt -73.84 -23.72 19.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.451 -0.795 . . . . 0.7 112.327 -175.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 16.3 mtm180 -55.51 -29.65 59.23 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.92 0.391 . . . . 4.21 111.723 173.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -91.57 22.09 4.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.699 0.762 . . . . 2.9 110.271 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.527 ' CD2' ' HB2' ' A' ' 64' ' ' ARG . 1.6 m-70 -104.83 13.51 31.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.483 0.659 . . . . 0.92 109.826 172.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.6 t70 . . . . . 0 C--O 1.247 0.973 0 CA-C-N 114.877 -1.056 . . . . 3.43 109.217 174.385 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.439 ' HG2' ' OG ' ' A' ' 72' ' ' SER . 13.2 tptt . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 109.988 -0.375 . . . . 5.35 109.988 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 2.9 Cg_endo -83.94 63.04 7.06 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 123.325 2.683 . . . . 1.62 112.079 -176.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.609 ' HB3' ' HG ' ' A' ' 75' ' ' LEU . 5.2 m-85 -110.81 107.51 17.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.619 -0.719 . . . . 1.48 111.266 -178.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.501 HG22 ' HB3' ' A' ' 68' ' ' ARG . 54.7 t -113.77 136.79 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 115.343 -0.844 . . . . 1.04 110.169 177.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 64' ' ' ARG . 14.6 t -73.15 98.83 2.67 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.406 -0.961 . . . . 0.38 108.406 171.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.2 -17.91 65.02 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.478 -0.564 . . . . 2.79 109.478 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.523 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 51.2 mtp180 -70.51 -42.09 71.75 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.451 -0.795 . . . . 2.77 111.489 -177.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 15.2 p -133.8 4.42 3.57 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 118.985 -1.086 . . . . 0.37 112.688 177.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.33 -11.33 72.38 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 114.624 0.61 . . . . 0.43 114.624 170.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 62' ' ' CYS . 53.9 mttm -88.52 122.91 32.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.713 0.757 . . . . 2.07 110.898 -176.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.501 ' HB3' HG22 ' A' ' 61' ' ' VAL . 21.2 ptt180 -107.22 168.65 9.07 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 112.558 0.577 . . . . 2.91 112.558 -174.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.543 ' HB2' ' HB2' ' A' ' 75' ' ' LEU . 37.7 m-85 -140.72 143.37 34.97 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 115.052 -0.976 . . . . 0.53 109.75 -178.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.2 t -68.65 -27.22 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 CA-C-N 114.326 -1.306 . . . . 0.71 110.604 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.413 ' HB3' HE21 ' A' ' 71' ' ' GLN . 4.7 mt-30 -108.29 130.69 55.17 Favored 'General case' 0 N--CA 1.429 -1.525 0 CA-C-O 120.92 0.391 . . . . 1.98 110.38 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.439 ' OG ' ' HG2' ' A' ' 58' ' ' LYS . 5.1 m -56.41 -39.64 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.567 -0.742 . . . . 1.52 110.603 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.0 t -59.58 -43.75 93.53 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.674 -0.694 . . . . 1.39 110.501 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -75.48 -32.35 60.54 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.536 -0.302 . . . . 2.23 110.362 -174.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.732 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 2.2 tm? -71.17 -38.9 72.14 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.313 -0.625 . . . . 1.87 109.313 177.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' A' ' 80' ' ' ARG . . . -75.68 -29.97 59.22 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.094 -0.643 . . . . 0.34 109.939 176.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -62.24 -37.79 86.77 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.368 -0.975 . . . . 1.33 108.368 170.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.732 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 50.7 t60 -58.86 -49.25 78.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.725 -1.125 . . . . 0.46 110.451 173.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.648 HG12 ' O ' ' A' ' 75' ' ' LEU . 33.1 mm -63.76 -39.87 86.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.904 -0.589 . . . . 0.7 110.799 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 88.1 mtt180 -55.26 -31.26 61.4 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 113.137 0.791 . . . . 4.21 113.137 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.479 ' NE2' ' HA ' ' A' ' 78' ' ' HIS . 30.4 p80 -99.44 29.77 3.86 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.444 0.64 . . . . 2.9 111.121 176.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.495 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.8 m-70 -100.1 20.1 15.14 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.102 -0.703 . . . . 0.92 109.102 168.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.2 t70 . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.343 -0.844 . . . . 3.43 110.565 -175.544 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.461 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 54.6 mtpt . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 109.724 -0.473 . . . . 5.35 109.724 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 11.5 Cg_exo -70.14 -19.91 33.74 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.263 2.642 . . . . 1.62 113.727 -168.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.501 ' HB3' HD22 ' A' ' 75' ' ' LEU . 97.5 m-85 -127.79 105.7 8.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.33 0.586 . . . . 1.48 111.327 -174.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.825 HG22 ' HG2' ' A' ' 68' ' ' ARG . 95.3 t -128.83 134.58 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 CA-C-N 115.563 -0.744 . . . . 1.04 110.864 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.68 ' HA ' HD11 ' A' ' 79' ' ' ILE . 50.1 t -71.93 93.54 1.36 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.709 -0.849 . . . . 0.38 108.709 173.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.94 -19.4 17.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.079 0.466 . . . . 2.79 110.481 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.463 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 28.2 mtp180 -74.29 -44.63 51.95 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.665 -0.698 . . . . 2.77 112.531 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.54 ' SG ' ' HG2' ' A' ' 67' ' ' LYS . 18.1 p -123.45 -17.62 6.46 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 118.205 -1.398 . . . . 0.37 112.671 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.6 1.77 43.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.545 -0.836 . . . . 0.43 113.85 176.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.54 ' HG2' ' SG ' ' A' ' 65' ' ' CYS . 29.1 mmmt -84.33 138.96 32.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 117.587 0.693 . . . . 2.07 110.523 178.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.825 ' HG2' HG22 ' A' ' 61' ' ' VAL . 75.8 mtt85 -107.66 158.18 17.48 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 113.83 1.048 . . . . 2.91 113.83 -171.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -146.15 168.7 20.36 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.009 -1.451 . . . . 0.53 109.228 178.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 t -114.64 -24.6 3.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 N-CA-C 108.178 -1.045 . . . . 0.71 108.178 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.579 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 69.8 mm-40 -93.44 128.41 39.51 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-N 114.686 -1.143 . . . . 1.98 109.756 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.7 t -59.8 -41.47 91.28 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.999 -0.741 . . . . 1.52 108.999 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.8 t -59.85 -46.46 89.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.084 -0.962 . . . . 1.39 110.472 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.579 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 85.4 mt-30 -72.64 -32.42 65.87 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 110.242 -0.281 . . . . 2.23 110.242 -173.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 60' ' ' TYR . 31.5 tp -62.72 -57.4 11.1 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.101 -0.5 . . . . 1.87 110.115 175.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.16 -38.46 73.59 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.361 -0.836 . . . . 0.34 110.23 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -59.29 -45.13 92.08 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.526 -0.546 . . . . 1.33 109.526 175.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -60.95 -46.88 88.95 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.393 -0.821 . . . . 0.46 111.326 -178.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.68 HD11 ' HA ' ' A' ' 62' ' ' CYS . 59.6 mt -80.68 -23.04 11.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.965 -0.561 . . . . 0.7 111.794 -175.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -69.99 0.17 6.44 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 122.052 -0.405 . . . . 4.21 111.447 171.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -112.83 22.68 14.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.087 0.47 . . . . 2.9 109.852 172.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.426 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 0.9 OUTLIER -107.45 64.42 0.63 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.837 -0.619 . . . . 0.92 111.11 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.255 -0.878 . . . . 3.43 109.556 176.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 109.835 -0.431 . . . . 5.35 109.835 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -73.0 6.78 2.33 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.26 2.64 . . . . 1.62 113.209 -175.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.408 ' HA ' HD22 ' A' ' 75' ' ' LEU . 87.9 m-85 -111.0 87.4 2.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.048 0.451 . . . . 1.48 110.904 -177.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.531 HG13 ' HB3' ' A' ' 68' ' ' ARG . 30.4 t -140.66 144.51 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 115.706 -0.679 . . . . 1.04 109.461 176.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.504 ' SG ' ' HB2' ' A' ' 64' ' ' ARG . 42.3 t -77.41 107.82 10.11 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.081 -0.509 . . . . 0.38 110.087 177.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.23 -19.04 65.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.396 0.617 . . . . 2.79 109.909 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.504 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . 18.2 mtp180 -79.36 -35.64 40.57 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 113.067 0.766 . . . . 2.77 113.067 -176.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.5 p -140.1 3.96 2.02 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 118.302 -1.359 . . . . 0.37 113.171 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.53 -22.27 36.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.446 -0.883 . . . . 0.43 113.79 174.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -66.87 125.6 26.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 117.489 0.644 . . . . 2.07 111.396 -177.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.531 ' HB3' HG13 ' A' ' 61' ' ' VAL . 14.8 ptp180 -105.33 164.99 11.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.016 -0.538 . . . . 2.91 111.143 -176.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -144.6 149.65 36.14 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 121.377 0.608 . . . . 0.53 110.131 -173.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.0 t -77.21 -36.99 25.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 CA-C-N 114.961 -1.018 . . . . 0.71 109.672 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -102.23 140.58 36.32 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 115.718 -0.674 . . . . 1.98 110.862 -170.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.8 p -63.25 -39.45 94.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.584 -0.734 . . . . 1.52 110.153 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.2 t -61.4 -48.29 81.91 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.728 -0.669 . . . . 1.39 110.287 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -64.74 -38.84 92.34 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 109.1 -0.704 . . . . 2.23 109.1 -176.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 60' ' ' TYR . 63.2 tp -61.84 -60.54 3.5 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.187 -0.915 . . . . 1.87 110.54 179.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.4 -43.66 68.08 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.424 -0.807 . . . . 0.34 110.399 176.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -59.63 -42.39 92.6 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.451 -0.574 . . . . 1.33 109.451 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.443 ' HD2' HD12 ' A' ' 79' ' ' ILE . 71.1 t60 -62.09 -53.06 60.73 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.36 -0.836 . . . . 0.46 111.205 -177.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.506 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 2.1 mp -69.76 -33.01 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 116.412 -0.358 . . . . 0.7 111.134 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -62.21 -24.44 67.22 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.967 0.413 . . . . 4.21 111.112 174.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -83.47 -4.61 58.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.908 -0.587 . . . . 2.9 110.419 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.506 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 5.0 m-70 -84.94 72.12 10.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.034 0.445 . . . . 0.92 111.587 -178.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.1 t70 . . . . . 0 C--O 1.244 0.772 0 CA-C-O 118.516 -0.754 . . . . 3.43 109.895 171.94 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 96.9 mttt . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.061 0.458 . . . . 5.35 109.922 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 13.9 Cg_exo -71.42 -18.68 29.52 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.508 2.805 . . . . 1.62 113.794 -173.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.492 ' HB2' ' O ' ' A' ' 69' ' ' PHE . 75.8 m-85 -86.81 89.31 7.92 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.681 0.753 . . . . 1.48 111.741 -173.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.647 HG22 ' HB3' ' A' ' 68' ' ' ARG . 38.4 t -128.01 139.96 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 CA-C-N 115.323 -0.853 . . . . 1.04 109.812 177.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.41 ' HB2' ' CD2' ' A' ' 78' ' ' HIS . 52.4 t -72.0 101.1 2.62 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.775 -0.824 . . . . 0.38 108.775 175.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -59.81 -16.58 29.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.224 0.535 . . . . 2.79 110.607 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -87.56 -35.72 17.96 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 115.83 -0.623 . . . . 2.77 112.541 -173.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.1 p -129.85 4.11 4.94 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 118.404 -1.318 . . . . 0.37 112.101 177.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.5 -15.13 57.84 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 120.907 -0.663 . . . . 0.43 113.909 172.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -78.57 133.92 37.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.432 0.616 . . . . 2.07 110.853 -177.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.647 ' HB3' HG22 ' A' ' 61' ' ' VAL . 16.8 ptt180 -113.73 168.97 9.33 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.481 0.658 . . . . 2.91 112.493 -173.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.492 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 15.1 m-85 -147.48 153.4 39.49 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 114.489 -1.232 . . . . 0.53 109.017 -177.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.2 -33.57 6.59 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 CA-C-N 115.35 -0.841 . . . . 0.71 109.17 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.557 HE21 ' HG3' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -89.59 127.46 35.9 Favored 'General case' 0 N--CA 1.414 -2.23 0 CA-C-N 115.619 -0.719 . . . . 1.98 109.414 -177.03 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.9 t -63.77 -36.67 84.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.73 -0.668 . . . . 1.52 109.815 -178.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.0 t -65.94 -39.0 90.08 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.338 -0.846 . . . . 1.39 110.072 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.557 ' HG3' HE21 ' A' ' 71' ' ' GLN . 85.3 mm-40 -78.95 -23.28 44.69 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.011 0.434 . . . . 2.23 109.906 -174.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.431 HD22 ' HB3' ' A' ' 60' ' ' TYR . 24.0 tp -63.9 -54.13 39.58 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.588 -0.733 . . . . 1.87 109.953 172.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.53 86.86 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.066 -0.97 . . . . 0.34 109.94 173.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.473 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 47.0 t30 -56.67 -45.18 81.86 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.545 -0.539 . . . . 1.33 109.545 175.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 79.5 t60 -57.97 -53.05 62.66 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.623 -0.717 . . . . 0.46 110.979 178.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 47.0 mt -76.48 -22.94 15.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.882 -0.599 . . . . 0.7 112.02 -174.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 80' ' ' ARG . 1.4 mmp_? -63.07 -17.96 62.84 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 121.927 -0.483 . . . . 4.21 111.402 172.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -99.18 18.96 16.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.186 0.517 . . . . 2.9 110.524 177.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.507 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 0.5 OUTLIER -98.52 75.16 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.801 -0.636 . . . . 0.92 110.522 175.76 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 C--O 1.246 0.897 0 CA-C-N 115.869 -0.605 . . . . 3.43 110.039 174.616 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.409 ' HB3' ' HD1' ' A' ' 60' ' ' TYR . 32.7 mmmt . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 110.148 -0.316 . . . . 5.35 110.148 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 4.6 Cg_exo -78.19 33.72 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.579 2.852 . . . . 1.62 112.775 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.532 ' HB2' ' O ' ' A' ' 69' ' ' PHE . 41.0 m-85 -103.55 95.94 6.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.043 -0.526 . . . . 1.48 110.248 -178.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.683 ' HB ' ' HG2' ' A' ' 68' ' ' ARG . 7.6 p -123.15 139.97 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 CA-C-N 115.862 -0.608 . . . . 1.04 110.096 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.699 ' SG ' HG12 ' A' ' 79' ' ' ILE . 33.7 t -71.73 95.57 1.5 Allowed 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.556 -0.905 . . . . 0.38 108.556 173.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.35 -10.1 10.21 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.067 0.461 . . . . 2.79 110.924 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.619 ' HD3' HG23 ' A' ' 79' ' ' ILE . 29.6 mtp180 -81.44 -35.06 31.07 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.996 -0.547 . . . . 2.77 112.465 177.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 23.4 p -129.96 -4.07 4.55 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 118.741 -1.184 . . . . 0.37 112.981 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.05 -8.79 77.58 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.794 -0.717 . . . . 0.43 113.762 175.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -88.49 130.08 35.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 117.415 0.607 . . . . 2.07 111.364 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.683 ' HG2' ' HB ' ' A' ' 61' ' ' VAL . 21.2 mtm180 -91.45 163.42 14.18 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 113.679 0.992 . . . . 2.91 113.679 -175.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.532 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 15.2 m-85 -143.09 147.26 34.73 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 113.842 -1.526 . . . . 0.53 108.856 177.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.9 t -84.38 -32.5 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 CA-C-N 114.975 -1.011 . . . . 0.71 110.256 -176.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.497 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 47.9 mt-30 -97.63 131.63 44.02 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 116.226 -0.443 . . . . 1.98 110.23 -176.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 38.1 t -58.13 -42.46 85.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.194 0.521 . . . . 1.52 109.739 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 m -60.37 -46.04 91.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.305 -0.862 . . . . 1.39 110.575 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.497 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 29.9 mm-40 -75.66 -25.77 57.11 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.476 -0.329 . . . . 2.23 110.293 -174.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 60' ' ' TYR . 34.3 tp -63.2 -57.22 11.24 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.285 0.564 . . . . 1.87 110.008 173.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.59 -38.82 75.53 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.15 -0.932 . . . . 0.34 109.914 174.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -56.87 -46.82 81.58 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.482 -0.562 . . . . 1.33 109.482 175.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -60.31 -52.29 65.88 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.157 -0.929 . . . . 0.46 110.796 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.699 HG12 ' SG ' ' A' ' 62' ' ' CYS . 15.1 mt -71.29 -27.79 30.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.195 -0.457 . . . . 0.7 111.817 -176.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -62.85 -20.57 65.22 Favored 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 122.072 -0.393 . . . . 4.21 111.101 172.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -86.85 2.97 47.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.085 0.469 . . . . 2.9 110.575 177.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.489 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 1.7 m-70 -89.55 12.6 16.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.366 0.603 . . . . 0.92 110.237 175.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 C--O 1.249 1.034 0 CA-C-N 115.458 -0.792 . . . . 3.43 109.624 177.068 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 120.797 0.332 . . . . 5.35 110.872 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -84.19 -4.06 10.3 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.14 2.56 . . . . 1.62 110.977 175.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.555 ' HB3' HD22 ' A' ' 75' ' ' LEU . 87.4 m-85 -99.31 110.78 23.26 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.339 -0.846 . . . . 1.48 110.744 -177.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.694 ' HB ' ' HG2' ' A' ' 68' ' ' ARG . 7.5 p -128.72 142.74 43.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.364 -0.834 . . . . 1.04 109.761 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.816 ' HA ' HD11 ' A' ' 79' ' ' ILE . 39.3 t -68.72 104.04 1.9 Allowed 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.328 -0.619 . . . . 0.38 109.328 175.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -48.88 -31.68 7.63 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 123.923 0.764 . . . . 2.79 111.478 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.419 ' HB2' ' CD2' ' A' ' 82' ' ' HIS . 82.0 mtt180 -82.36 -47.86 11.82 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 113.048 0.759 . . . . 2.77 113.048 -174.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.6 p -114.76 -4.49 12.7 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 118.754 -1.178 . . . . 0.37 112.093 -173.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.69 -1.53 85.55 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.852 -0.689 . . . . 0.43 113.968 173.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -82.7 120.45 25.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.649 0.724 . . . . 2.07 111.538 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.694 ' HG2' ' HB ' ' A' ' 61' ' ' VAL . 75.0 mtm180 -79.67 158.41 27.01 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.842 -0.617 . . . . 2.91 112.596 178.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -141.78 147.81 37.9 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 114.708 -1.133 . . . . 0.53 110.137 -177.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.1 t -81.14 -33.52 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 CA-C-N 114.006 -1.452 . . . . 0.71 110.153 -178.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.608 ' HB2' ' CB ' ' A' ' 74' ' ' GLN . 16.5 mm-40 -97.19 128.2 43.86 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-N 115.846 -0.615 . . . . 1.98 110.003 -175.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.9 m -59.63 -44.67 93.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.805 -0.634 . . . . 1.52 109.722 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.3 t -66.94 -36.51 82.39 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.336 -0.847 . . . . 1.39 110.38 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.608 ' CB ' ' HB2' ' A' ' 71' ' ' GLN . 6.0 tp-100 -74.77 -29.55 61.16 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.101 -0.703 . . . . 2.23 109.101 -174.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' A' ' 60' ' ' TYR . 25.0 tp -60.97 -59.74 4.89 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.698 -0.683 . . . . 1.87 110.238 173.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.64 -39.46 70.89 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.026 -0.988 . . . . 0.34 110.166 176.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -62.14 -43.35 99.03 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.311 -0.626 . . . . 1.33 109.311 177.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.437 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 71.6 t60 -58.78 -51.2 70.98 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.429 -0.805 . . . . 0.46 110.39 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.816 HD11 ' HA ' ' A' ' 62' ' ' CYS . 10.6 mt -71.36 -33.29 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.127 -0.488 . . . . 0.7 111.737 -177.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -62.21 -19.79 63.51 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 111.739 0.274 . . . . 4.21 111.739 174.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -89.7 5.82 44.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.915 0.388 . . . . 2.9 110.782 175.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.54 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 2.0 m-70 -92.45 -5.13 52.55 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.443 -0.577 . . . . 0.92 109.443 172.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 37.0 t70 . . . . . 0 C--O 1.246 0.919 0 CA-C-N 115.092 -0.958 . . . . 3.43 110.179 -176.543 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.67 ' HD2' ' HD2' ' A' ' 59' ' ' PRO . 16.3 tptm . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.089 -0.337 . . . . 5.35 110.089 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.67 ' HD2' ' HD2' ' A' ' 58' ' ' LYS . 79.1 Cg_endo -80.33 46.61 2.29 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.152 2.568 . . . . 1.62 113.627 -174.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -125.12 97.07 5.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.593 0.711 . . . . 1.48 111.345 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.519 HG22 ' HB3' ' A' ' 68' ' ' ARG . 43.6 t -126.13 146.65 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-N 114.769 -1.105 . . . . 1.04 109.745 178.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.798 ' HA ' HD11 ' A' ' 79' ' ' ILE . 47.8 t -69.05 94.71 0.67 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.667 -0.864 . . . . 0.38 108.667 174.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -56.64 -20.01 19.13 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.562 0.696 . . . . 2.79 110.164 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -87.54 -26.15 23.3 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.137 -0.938 . . . . 2.77 113.193 -172.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.1 p -134.7 -5.38 2.5 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 117.96 -1.496 . . . . 0.37 112.86 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.69 -5.27 66.78 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.817 -0.706 . . . . 0.43 114.143 173.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -89.1 145.84 25.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.569 0.684 . . . . 2.07 110.654 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.519 ' HB3' HG22 ' A' ' 61' ' ' VAL . 12.2 ptm180 -123.9 172.07 9.2 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.858 0.688 . . . . 2.91 112.858 -171.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.524 ' HB2' HD23 ' A' ' 75' ' ' LEU . 13.5 m-85 -141.89 170.72 15.19 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 115.022 -0.99 . . . . 0.53 109.037 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -105.53 -21.82 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.292 0 N-CA-C 107.464 -1.31 . . . . 0.71 107.464 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.567 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 11.4 mm-40 -102.81 128.09 49.71 Favored 'General case' 0 N--CA 1.424 -1.732 0 CA-C-N 113.902 -1.499 . . . . 1.98 108.85 -178.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.6 t -60.46 -43.18 97.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.237 0.541 . . . . 1.52 109.81 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.2 t -67.92 -32.37 72.79 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.585 -0.734 . . . . 1.39 110.661 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.567 ' HB2' ' HB2' ' A' ' 71' ' ' GLN . 16.9 mt-30 -79.26 -27.77 42.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.381 -0.528 . . . . 2.23 109.915 -175.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.543 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 1.3 tm? -72.31 -39.77 68.0 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.241 -1.022 . . . . 1.87 108.241 176.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.13 -38.06 84.92 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.69 -0.485 . . . . 0.34 109.69 174.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -60.96 -41.62 96.68 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.233 -0.654 . . . . 1.33 109.233 175.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.543 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 30.3 t60 -55.87 -52.84 62.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.835 -1.075 . . . . 0.46 111.242 177.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.798 HD11 ' HA ' ' A' ' 62' ' ' CYS . 53.6 mt -76.1 -27.93 18.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.098 -0.501 . . . . 0.7 112.063 -177.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -69.11 -19.8 64.05 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 120.987 0.422 . . . . 4.21 110.742 171.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -79.4 -6.75 57.52 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.501 0.667 . . . . 2.9 109.782 172.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.591 ' HB2' ' O ' ' A' ' 79' ' ' ILE . 8.5 m-70 -88.2 4.17 46.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.578 -0.737 . . . . 0.92 110.106 173.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.467 -0.778 . . . . 3.43 110.038 179.24 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_